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Paper Citation Record · LEDGER

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond

As of 7 August 2026, this Paper Citation Record lists 84 of 84 outbound references and 2 inbound Pith citation observations for arXiv:2502.09897.

A citation records a reference. It does not transfer a finding from one paper to another.

pith.paper-citation-record.v1
2502.09897 v1

Coverage vector

measured 84 of 84 reference resolution

Typed states for the displayed outbound observations.

Source: paper_references, paper_reference_links, observed 2026-08-07T20:11:12.224665Z

measured 86 of 86 standing notices

One-hop event checks from named stored sources.

Source: scholarly_work_events, retraction_status_cache, observed 2026-08-07T06:34:17.273281+00:00

measured 2 of 2 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links, observed 2026-06-27T07:04:51.970049Z

measured 0 of 1 external citation measurements

A source-named dated measurement, never combined with another source.

Source: arxiv_reference, observed 2026-07-03T14:28:31.384103Z

Reference resolution

84 of 84 outbound references displayed

  • verified exact3
  • verified fuzzy48
  • unresolved32
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External citation measurements

No source-named external measurement is stored.

Outbound references

Observation f1f24bcb-54cf-4fa9-8986-74144a3f9092 · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 1

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Source-reported events for the cited work

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Observation 27a6d4f1-0ac2-4cca-b429-087c2e48d754 · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 2

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Source-reported events for the cited work

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Observation bc7db093-94f0-4483-b479-df88c8fce2cf · outbound

This paper cites Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry

Reference 3

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Source-reported events for the cited work

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Observation c92efb0d-bc8d-4638-a486-1b80519f7c3d · outbound

This paper cites G., Muhoberac, M., Randolph, C.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond G., Muhoberac, M., Randolph, C

Reference 4

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Unavailable: canonical work link unavailable.

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Observation d140368a-a56a-4942-b347-6ccf7d1dc496 · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 5

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Source-reported events for the cited work

Unavailable: canonical work link unavailable.

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Observation 23f90487-f985-4815-9852-c5b98d9ae338 · outbound

This paper cites A., Kozlov, K.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., Kozlov, K

Reference 6

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Observation d8f2ee62-3f92-45ed-bb64-4629593b850a · outbound

This paper cites On the Opportunities and Risks of Foundation Models.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond On the Opportunities and Risks of Foundation Models

Reference 7

Resolution
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Observation cb6d0a82-10a6-4288-ac0a-24e05b03cb04 · outbound

This paper cites MassSpecGym: A benchmark for the discovery and identification of molecules.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond MassSpecGym: A benchmark for the discovery and identification of molecules

Reference 8

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Source-reported events for the cited work

Unavailable: canonical work link unavailable.

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Observation 4f44026d-5fd4-4a94-9412-7ff195e8a4fb · outbound

This paper cites Interleaved Scene Graphs for Interleaved Text-and-Image Generation Assessment.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Interleaved Scene Graphs for Interleaved Text-and-Image Generation Assessment

Reference 9

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Source-reported events for the cited work

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Observation 97030c01-143d-4686-8bf8-8c52d3a24adf · outbound

This paper cites GUI-World: A Video Benchmark and Dataset for Multimodal GUI-oriented Understanding.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond GUI-World: A Video Benchmark and Dataset for Multimodal GUI-oriented Understanding

Reference 10

Resolution
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Source-reported events for the cited work

Unavailable: canonical work link unavailable.

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Observation 6a34acb4-4812-46db-a1b7-3a18a447f5ba · outbound

This paper cites Uncertainty-aware yield prediction with multimodal molec- ular features.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Uncertainty-aware yield prediction with multimodal molec- ular features

Reference 11

Resolution
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Observation dc41afd8-0846-49b3-a2fa-2514e714f7ce · outbound

This paper cites Unveiling the power of language models in chemical research question answering.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unveiling the power of language models in chemical research question answering

Reference 12

Resolution
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Observation b5d4362e-8e99-48f9-bb1e-3479c0544e5b · outbound

This paper cites V ., Gelin, M.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond V ., Gelin, M

Reference 13

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Observation 952e94fe-8bb3-4bda-90c0-fc13e06c4c4c · outbound

This paper cites C., Sievers, C.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond C., Sievers, C

Reference 14

Resolution
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Source-reported events for the cited work

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Observation 7f0ffb62-fa70-4314-8eb3-42546580ce52 · outbound

This paper cites W ., Jin, W ., Rogers, L., Jamison, T.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond W ., Jin, W ., Rogers, L., Jamison, T

Reference 15

Resolution
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Source-reported events for the cited work

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Observation fd1bf59f-a8f3-4dd7-8cde-83f96116e1d8 · outbound

This paper cites Pure isotropic proton nmr spectra in solids using deep learning.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Pure isotropic proton nmr spectra in solids using deep learning

Reference 16

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Observation f7f24875-ae2a-4213-8600-680c210e9e4e · outbound

This paper cites Spectroscopy-guided deep learning predicts solid–liquid surface adsorbate properties in unseen solvents.Journal of the American Chem- ical Society, 146(1):811–823, 2023.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Spectroscopy-guided deep learning predicts solid–liquid surface adsorbate properties in unseen solvents.Journal of the American Chem- ical Society, 146(1):811–823, 2023

Reference 17

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Observation dc0fc9b6-89b7-4b15-85fc-46f364ffc41d · outbound

This paper cites A., Petras, Daniel ans Ger- wick, W.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., Petras, Daniel ans Ger- wick, W

Reference 18

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Observation 2a20941a-2e81-402c-a570-a2f5494d83d7 · outbound

This paper cites E., Gibbons, F.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond E., Gibbons, F

Reference 19

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Observation 7073341f-98ab-4e46-9a5f-1889f5058f87 · outbound

This paper cites A., North, N.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., North, N

Reference 20

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Source-reported events for the cited work

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Observation 9884e433-8779-48a9-ab6c-afd49c9ad97b · outbound

This paper cites K.-Y., Beck, A., Alzarieni, K.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond K.-Y., Beck, A., Alzarieni, K

Reference 21

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Observation 11a76f76-e161-4add-a773-fefe3c9bce90 · outbound

This paper cites A., Rajasekar, A.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., Rajasekar, A

Reference 22

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Observation 3b5cdc5b-b285-46a7-aebe-bb6b2f5d9784 · outbound

This paper cites A., Bößl, F ., and Wilhelm, M.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., Bößl, F ., and Wilhelm, M

Reference 23

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Source-reported events for the cited work

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Observation 587fc6ac-1eff-4d6e-bb0d-82bf32bc4060 · outbound

This paper cites Honestllm: Toward an honest and helpful large language model.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Honestllm: Toward an honest and helpful large language model

Reference 24

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Source-reported events for the cited work

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Observation ba70bf93-45c0-41d9-91e1-e08d78d1c859 · outbound

This paper cites Machine learning molecular dynamics for the simulation of infrared spectra.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Machine learning molecular dynamics for the simulation of infrared spectra

Reference 25

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Observation ab37453b-6070-47ef-93eb-f02d51a49f04 · outbound

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Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond T ., and Müller, K.-R

Reference 26

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Observation d40a1a5b-d605-4cf9-9036-fca678112c3c · outbound

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Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., Packer, M

Reference 27

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Observation 4a24854b-b0b0-4a5a-b57e-dada2b512cce · outbound

This paper cites Prefix-tree decoding for predicting mass spectra from molecules.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Prefix-tree decoding for predicting mass spectra from molecules

Reference 28

Resolution
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Source-reported events for the cited work

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Observation a0f37436-fa26-48c5-a5ef-83eabfbbfcaf · outbound

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Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 29

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Observation 00fe7b7a-f19a-4bf9-b3b2-1d96f7c2d1a3 · outbound

This paper cites S., Gallegos, L.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond S., Gallegos, L

Reference 30

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Observation 82aebbf4-e5d9-4324-8371-b36a489bd53a · outbound

This paper cites V ., Wiest, O., and Zhang, X.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond V ., Wiest, O., and Zhang, X

Reference 31

Resolution
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Source-reported events for the cited work

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Observation 6a564bac-8d0c-4d17-986c-13dc12778555 · outbound

This paper cites What can large language models do in chemistry? a comprehensive benchmark on eight tasks.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond What can large language models do in chemistry? a comprehensive benchmark on eight tasks

Reference 32

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Observation 51f28e6e-02da-498c-952a-8d6d74fba15b · outbound

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Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 33

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Source-reported events for the cited work

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Observation 5326b85d-f1a8-4d82-85ef-fed7e8f485ff · outbound

This paper cites Graph-based Molecular Representation Learning.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Graph-based Molecular Representation Learning

Reference 34

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Source-reported events for the cited work

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Observation 17382ffc-b134-460c-8d83-5b6df8df0457 · outbound

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Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 35

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unresolved
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

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Observation 8e9d3579-3322-4c1b-ae2c-caa383007861 · outbound

This paper cites S., Rotskoff, G.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond S., Rotskoff, G

Reference 36

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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:11.984923Z digest=sha256:248b51e123042e1d3c5517bf225a3771f0e17b873a35ceab242c2f596f109aaa

Observation 34424258-f287-4c29-95a8-71d578960cf5 · outbound

This paper cites MetaTool Benchmark for Large Language Models: Deciding Whether to Use Tools and Which to Use.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond MetaTool Benchmark for Large Language Models: Deciding Whether to Use Tools and Which to Use

Reference 37

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unresolved
no resolver link, observed 2026-08-07T20:11:11.989677Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:11.989677Z digest=sha256:d8f1b3a0a1d44e71d3c46f52c2b901fe0192d22e34054efbe8113ae0022ef2fc

Observation cd7d5d5c-ea78-42e4-b482-e3af89ecce4c · outbound

This paper cites TrustGPT: A Benchmark for Trustworthy and Responsible Large Language Models.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond TrustGPT: A Benchmark for Trustworthy and Responsible Large Language Models

Reference 38

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no resolver link, observed 2026-08-07T20:11:11.994909Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:11.994909Z digest=sha256:ff5ad2b85671a338da9edd3ed1e663acf3e4b760e0a63e932bdcc5de1991a74c

Observation 1c32ded0-6dcf-4516-b8c2-18f8fd29e208 · outbound

This paper cites TrustLLM: Trustworthiness in Large Language Models.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond TrustLLM: Trustworthiness in Large Language Models

Reference 39

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no resolver link, observed 2026-08-07T20:11:11.999728Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:11.999728Z digest=sha256:79bebdf120d8a567575037d836770285cfc1f19fbe92ef7e8fdc3de71977807e

Observation 792d1802-a4dc-49f6-bfca-91eebfad09f3 · outbound

This paper cites Jailbreaking Large Language Models Through Alignment Vulnerabilities in Out-of-Distribution Settings.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Jailbreaking Large Language Models Through Alignment Vulnerabilities in Out-of-Distribution Settings

Reference 40

Resolution
verified exact
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.004369Z digest=sha256:bb8e6b31cb5c350fc58637292931a1af211e3e72da04007567aec5fb5ebaefda

Observation e343c437-54ff-4ace-a95c-e8426117e0a8 · outbound

This paper cites Social Science Meets LLMs: How Reliable Are Large Language Models in Social Simulations?.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Social Science Meets LLMs: How Reliable Are Large Language Models in Social Simulations?

Reference 41

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.009821Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.009821Z digest=sha256:f4ea2be173f3c414257ef6bf0d8466f3889b14b3aaf70ee13530ce49a7db72f3

Observation 1a0e0f36-0809-4771-a0bb-49bd87da3bd9 · outbound

This paper cites Breaking focus: Contex- tual distraction curse in large language models.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Breaking focus: Contex- tual distraction curse in large language models

Reference 42

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.015164Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.015164Z digest=sha256:9e327aa1c6b1487e36a8769bb2a46eb1e6607d97dd358253217b1f4a0495814c

Observation ebbdd397-f25e-4cac-899b-cf05f54e34e2 · outbound

This paper cites S., Woroch, C.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond S., Woroch, C

Reference 43

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.347367Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.020543Z digest=sha256:6d2150140661baf5b3a775dd0ff5fb48818cd913bdcf936530fb6bf41b76ced6

Observation 9d366a95-3ba7-4e48-9c8c-cbb87173d47c · outbound

This paper cites J., Madotto, A., and Fung, P.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond J., Madotto, A., and Fung, P

Reference 44

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.331333Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.025633Z digest=sha256:c6fc97e354dfef29bd78f82df15ec16e18d768b63bd7ccdef93bba6865b288b8

Observation b9bd46e5-e7de-46d8-8539-2aca7f080fc9 · outbound

This paper cites Deep imitation learning for molecular inverse problems.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Deep imitation learning for molecular inverse problems

Reference 45

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.315275Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.030651Z digest=sha256:3fd151acacdf08fbb92362df2a2991dac3851597d2916211636563030aead113

Observation 7e72db24-7cf2-421c-ac5c-1b90ae9be7bb · outbound

This paper cites and Kuhn, S.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond and Kuhn, S

Reference 46

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.299787Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.035381Z digest=sha256:b9243474f9e10410ff1fdf5934290cc67ce378ac4842eedfc93834827e50a04e

Observation 73cee680-0911-4c39-975f-2523731f1ce5 · outbound

This paper cites Predictive modeling of nmr chemical shifts without using atomic- level annotations.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Predictive modeling of nmr chemical shifts without using atomic- level annotations

Reference 47

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.283729Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.041003Z digest=sha256:b0d71a508d227fc7979551758646607f748f515087b59c97dcbb8dfb053ba886

Observation 6aa290e1-6400-466a-a75b-dfadf0030c48 · outbound

This paper cites W ., Zhang, C., Reher, R., Wang, M., Alexander, K.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond W ., Zhang, C., Reher, R., Wang, M., Alexander, K

Reference 48

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.268463Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.047074Z digest=sha256:0ec99f1fd442f0ca862dc9df184ed76d0c5c4f7664443784c2270f70978283e4

Observation 349b8012-35fe-4dfa-883f-23a4492e0a2b · outbound

This paper cites Neural message passing for nmr chemical shift prediction.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Neural message passing for nmr chemical shift prediction

Reference 49

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.253465Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.052549Z digest=sha256:b66347141c8e838d6ddbe1663e08ddc98a26cb04b94692f2fc165cc33cbe3ad5

Observation 69232bc4-e91a-43a2-8390-68bdc1f1e06b · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 50

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:13.237092Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.058334Z digest=sha256:15b8c23c3bc479eca85a15e24b2b991a1a3a790ba4f4ace6858c2af4e1643f2f

Observation 4d2be073-da61-4b74-8a60-ffe535290e7b · outbound

This paper cites BART: Denoising Sequence-to-Sequence Pre-training for Natural Language Generation, Translation, and Comprehension.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond BART: Denoising Sequence-to-Sequence Pre-training for Natural Language Generation, Translation, and Comprehension

Reference 51

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.063341Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.063341Z digest=sha256:06480fb40f34f7da15e1b207bfc31b4051ad1d26f34c204bc2d866d5e73af30b

Observation de2d85f0-8590-4282-a7c4-aaf51ad66b0a · outbound

This paper cites A machine learning protocol for revealing ion transport mechanisms from dynamic nmr shifts in paramagnetic battery materials.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A machine learning protocol for revealing ion transport mechanisms from dynamic nmr shifts in paramagnetic battery materials

Reference 52

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.219162Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.069202Z digest=sha256:639090c3a16f1e75f254d2d68cfaf8976077f84230ca5760b06ed9364ec08c42

Observation 24dd61b1-86fa-4196-ab82-e4b34af272bd · outbound

This paper cites Deep learning-assisted spectrum-structure correlation: State-of-the-art and perspectives.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Deep learning-assisted spectrum-structure correlation: State-of-the-art and perspectives

Reference 53

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.202705Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.075193Z digest=sha256:ccc84e0c0d0c6fa68fa723935a99eaef4fbd869e97fc8c6ae7c51b90e0211067

Observation 66dbb488-ba26-4269-9cc1-e74beef07218 · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 54

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:13.186649Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.080144Z digest=sha256:813cd4fb8f51892a087eebc11d9cc93efaa107aa405ce32125834b4dc7371148

Observation 81bf86ad-7bd5-451f-b809-c1b0bb7db102 · outbound

This paper cites Coculture of two developmental stages of a marine-derived aspergillus alliaceus results in the production of the cytotoxic bianthrone allianthrone a.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Coculture of two developmental stages of a marine-derived aspergillus alliaceus results in the production of the cytotoxic bianthrone allianthrone a

Reference 55

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.170536Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

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Observation 5edd327b-1738-43a1-957a-4f5e43f4af23 · outbound

This paper cites D., Joshi, R.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond D., Joshi, R

Reference 56

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.155125Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.090825Z digest=sha256:59f495aa2ac6a1cb0199810d5be1a8e705ad7ddc13a065f0bba603ca65702e92

Observation fa470d36-f46f-4554-9fa4-e946405bbaac · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 57

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:13.139075Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.095690Z digest=sha256:3075479a548742ceacc951445d49bea7705474ef4e77813358d8446f5184873a

Observation dedc1702-0501-4c79-a5f9-62f58fec7e12 · outbound

This paper cites Efficiently predicting high resolution mass spectra with graph neural networks.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Efficiently predicting high resolution mass spectra with graph neural networks

Reference 58

Resolution
verified exact
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.100090Z digest=sha256:0141f294d3fd038d3c180a7b21b980125ecc572ae66d8d0e5662955d715ac92c

Observation 61f54376-7e9f-4373-aff5-c427adead8e3 · outbound

This paper cites An Introduction to Convolutional Neural Networks.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond An Introduction to Convolutional Neural Networks

Reference 59

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.104999Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.104999Z digest=sha256:d629f8e54d7b67f8b13e437d0c1e919e2e9f0cfe64edf5b08d14a17ed597960f

Observation b1e19cb2-e7d7-47f6-ad4d-03a3d5cc6b57 · outbound

This paper cites Mass spectra prediction with structural motif-based graph neural networks.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Mass spectra prediction with structural motif-based graph neural networks

Reference 60

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.124489Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.109554Z digest=sha256:e074191eaceb643f2605a4ecc8a93f5b325ef5d83868bece6f382df9d1f48279

Observation d3dd4566-0c69-43db-a4af-da0eac8a3b5a · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 61

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unresolved
raw_fallback, observed 2026-08-07T20:11:13.109861Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.113622Z digest=sha256:604861b3c7ae9cf1cc1ceca7e196efeb3a847ba32d62c43b4ec00b6bb83e07d1

Observation 0fc49007-04fe-4972-943e-41c154c53917 · outbound

This paper cites and Paliwal, K.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond and Paliwal, K

Reference 62

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.095666Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.117797Z digest=sha256:2c4bd9abd28e7b0c80b3adfd41108ec9154bcc081e5d6d29c169a2f843f387b2

Observation 590cfe41-713d-48f5-a699-efb878ee5141 · outbound

This paper cites Equivariant message passing for the prediction of tensorial properties and molecular spectra.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Equivariant message passing for the prediction of tensorial properties and molecular spectra

Reference 63

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.081177Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.122298Z digest=sha256:c39517da71fc7fc2d85e205c70c73452962888bb05eba8eab6979f17b4ced221

Observation c90d0828-e8ff-45ca-99de-bfae80012e05 · outbound

This paper cites Graph neural networks for learning molecular excitation spectra.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Graph neural networks for learning molecular excitation spectra

Reference 64

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.065925Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.126727Z digest=sha256:bcc5e9355a80516c4ca15d32b2c89b506675a01d8ba0a33b8710465b68262125

Observation 64a7d8b2-5961-4f43-b8d9-c7655be73376 · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 65

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:13.050377Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.131134Z digest=sha256:0e22482b3bfe3ad07b3a157f209a70608bbb30c8a2a55e09137d93e4cd2b046f

Observation 880cba28-50dd-4419-ab3b-cf03d3a6f784 · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 66

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:13.034832Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.135508Z digest=sha256:afef3825ba6a2bdab09c9dc0fb10cfb014a1bfc242a0961560ca345b3d633ee3

Observation 106fafe3-6f58-4666-beb2-57326bc81bab · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 67

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:13.019069Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.140608Z digest=sha256:bc0f7256af8881a3fab3f6a06054870b746a15ad37a34ddccaf348d4e6a26023

Observation cf5414fc-5914-4cbc-a792-62ebc643ea7a · outbound

This paper cites Automation and machine learning augmented by large language models in a catalysis study.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Automation and machine learning augmented by large language models in a catalysis study

Reference 68

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:13.003105Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.145330Z digest=sha256:a605f4a6a42b2ef6c0b2a201061f06cc10b570472a2b4f15dff276d735e8dfa8

Observation 3ba94cc5-8c75-42fe-8081-4378c49ab517 · outbound

This paper cites Cross-modal retrieval between 13c nmr spectra and structures based on focused libraries.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Cross-modal retrieval between 13c nmr spectra and structures based on focused libraries

Reference 69

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:12.986573Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.149943Z digest=sha256:a4fa01211303cb69938a4e96171ff5538b1411dd6d6b61f798badd2dbf32b9c6

Observation 55c52d80-2f5c-4621-be2c-37e72214273f · outbound

This paper cites Large language models for data annotation and synthesis: A survey.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Large language models for data annotation and synthesis: A survey

Reference 70

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.154784Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.154784Z digest=sha256:bcfdc9db4f80247c9a59b7e090cff0955011366bb96de018e7012a5ea5bd13eb

Observation a5d08212-57f8-460c-b6e2-e0d8aa7f5772 · outbound

This paper cites Enhancing chemical reac- tion monitoring with a deep learning model for nmr spectra image matching to target compounds.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Enhancing chemical reac- tion monitoring with a deep learning model for nmr spectra image matching to target compounds

Reference 71

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:12.971318Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

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Observation f952cff7-3907-4a36-9063-94bd6aa9c653 · outbound

This paper cites A., Karlsson, N.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond A., Karlsson, N

Reference 72

Resolution
verified fuzzy
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

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Observation 61f40937-bfef-4029-8f4d-b231c6908f31 · outbound

This paper cites Multi-scale Sinusoidal Embeddings Enable Learning on High Resolution Mass Spectrometry Data.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Multi-scale Sinusoidal Embeddings Enable Learning on High Resolution Mass Spectrometry Data

Reference 73

Resolution
metadata mismatch
local_arxiv, observed 2026-08-07T20:11:12.496104Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

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Observation 30211657-6f46-4d95-b55b-bccfc9ca1529 · outbound

This paper cites N., Belanger, D., Adams, R.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond N., Belanger, D., Adams, R

Reference 74

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:12.940793Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

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Observation f9fc8d7b-8021-459d-9eeb-24c1e325fcb8 · outbound

This paper cites Unigen: A unified framework for textual dataset generation using large language models.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unigen: A unified framework for textual dataset generation using large language models

Reference 75

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.181119Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.181119Z digest=sha256:385b3508863bd8c699c01e9b27c79325736fc8c8a5ee620cb124521fb5e4448c

Observation 3be7d7ca-b7e8-4752-a7bc-46d21865eb08 · outbound

This paper cites T ., Athersuch, T ., Xiang, Y., Liu, Z., Jiménez, B., and Ebbels, T.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond T ., Athersuch, T ., Xiang, Y., Liu, Z., Jiménez, B., and Ebbels, T

Reference 76

Resolution
verified fuzzy
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.186627Z digest=sha256:a250abb42fd2a76f08705a43b2e9e0c66d793e5b69b843503c4d348aeba8a6ef

Observation 42ffcb3b-40d3-4c52-9ba9-10b739d41955 · outbound

This paper cites Conditional molec- ular generation net enables automated structure elucidation based on 13c nmr spectra and prior knowledge.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Conditional molec- ular generation net enables automated structure elucidation based on 13c nmr spectra and prior knowledge

Reference 77

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:12.907382Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.191532Z digest=sha256:fcd02ef42bd67d9873fab3b14c1266d3ee92a0c6b9abd9799b95a178384bd631

Observation 20474bce-e326-4a8a-a576-30997a4599a4 · outbound

This paper cites D., Zhang, G., Mukamel, S., and Jiang, J.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond D., Zhang, G., Mukamel, S., and Jiang, J

Reference 78

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:12.892014Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.196498Z digest=sha256:68ea5df28b333e66994241df295fb9eb42b4ac47dfe7a8aac14695f1cb0af588

Observation 4e43d1b0-7408-48a8-b131-cc3a4b0fd5d7 · outbound

This paper cites De novo mass spectrometry peptide sequenc- ing with a transformer model.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond De novo mass spectrometry peptide sequenc- ing with a transformer model

Reference 79

Resolution
verified fuzzy
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.201447Z digest=sha256:13fc98f51a9eb71412ff27af60f53440d13e333ed9f98cf7c8c6c6da7b7acea6

Observation b6a34516-b4a2-4315-b4c8-8f187e890a3c · outbound

This paper cites MassFormer: Tandem Mass Spectrum Prediction for Small Molecules using Graph Transformers.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond MassFormer: Tandem Mass Spectrum Prediction for Small Molecules using Graph Transformers

Reference 80

Resolution
verified exact
local_arxiv, observed 2026-08-07T20:11:12.375219Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.206282Z digest=sha256:11468864c92f0c628aa912a9b406fde773c9b48d9bbd165ed7db2aa5d2cbbc36

Observation 0f98c21b-f3b8-44c0-a32e-28e1bb7002c6 · outbound

This paper cites Cbmaff-net: An intelligent nmr-based nontargeted screening method for new psychoactive substances.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Cbmaff-net: An intelligent nmr-based nontargeted screening method for new psychoactive substances

Reference 81

Resolution
verified fuzzy
raw_fallback, observed 2026-08-07T20:11:12.860420Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.211167Z digest=sha256:1ab23aa9e178174c9554291c1fe987093fafb47325194e3b78b6cbbc2b60e99f

Observation 22615d24-eb66-460b-84b8-c5f7035b1df6 · outbound

This paper cites V ., and Zhang, X.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond V ., and Zhang, X

Reference 82

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.215586Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.215586Z digest=sha256:3f9aee738619e507ad6c08e6e6e5abac2f26249fafabecaa55787bb36ef3ac41

Observation 556c8ccb-9674-4548-9797-60d91125df42 · outbound

This paper cites Using Graph Neural Networks for Mass Spectrometry Prediction.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Using Graph Neural Networks for Mass Spectrometry Prediction

Reference 83

Resolution
unresolved
no resolver link, observed 2026-08-07T20:11:12.219996Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-07T20:11:12.219996Z digest=sha256:8380deaa5692101fb4a1da581fb0a249e3052274aea14b0d7e2fa8a10210f7f2

Observation d6f0a8f4-09bb-44e6-b2de-41cfcc0cb8df · outbound

This paper cites an unresolved cited work.

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Unresolved cited work

Reference 84

Resolution
unresolved
raw_fallback, observed 2026-08-07T20:11:12.845118Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-08-07T20:11:12.224665Z digest=sha256:e47787ecf47c405a4261fd90d252ed188309df5c5a4561edf181ac2e4a41e622

Pith citing papers

Observation 1d6312bd-f23b-4e1b-a18e-89e4417cdf38 · inbound

SpecX: A Large-Scale Benchmark for Multi-Modal Spectroscopy and Cross-Paradigm Evaluation cites this paper.

SpecX: A Large-Scale Benchmark for Multi-Modal Spectroscopy and Cross-Paradigm Evaluation Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond

Reference 30

Resolution
verified exact
arxiv_id, observed 2026-05-20T23:19:13.904782Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=pdf_text observed=2026-05-20T23:16:56.835349Z digest=sha256:f20daf90ecb64ea14c08434028a2091c790ebf1646ea0fb07ab150bdffbcae8f

Observation 33b470a7-947b-4e9a-b89b-0135ba7312e3 · inbound

Getting Better at Working With You: Compiling User Corrections into Runtime Enforcement for Coding Agents cites this paper.

Getting Better at Working With You: Compiling User Corrections into Runtime Enforcement for Coding Agents Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond

Reference 9

Resolution
metadata mismatch
arxiv_id, observed 2026-07-03T14:28:31.385421Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-07T06:34:17.273281+00:00.

source=arxiv_source observed=2026-06-27T07:04:51.970049Z digest=sha256:6b889e3b685ff293a0256973666e18dc1909f92826d5b592240c209969fd8ff7