Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation | Paper Citation Record

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This paper cites Klein.Organic Chemistry.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Klein.Organic Chemistry

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This paper cites Griffiths.Handbook of Vibrational Spectroscopy.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Griffiths.Handbook of Vibrational Spectroscopy

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This paper cites Interpretation of infrared spectra, a practical approach.Encyclopedia of analytical chemistry, 12:10815–10837, 2000.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Interpretation of infrared spectra, a practical approach.Encyclopedia of analytical chemistry, 12:10815–10837, 2000

Reference 3

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This paper cites Elsevier, 2017.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Elsevier, 2017

Reference 4

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This paper cites Leveraging infrared spectroscopy for automated structure elucidation.Chemistry Communications, 7, 2024.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Leveraging infrared spectroscopy for automated structure elucidation.Chemistry Communications, 7, 2024

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This paper cites Computer-assisted structure elucidation (case): Current and future perspectives.Magnetic Resonance in Chemistry, 59:667–668, 07 2021.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Computer-assisted structure elucidation (case): Current and future perspectives.Magnetic Resonance in Chemistry, 59:667–668, 07 2021

Reference 6

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This paper cites Fine, Anand A.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Fine, Anand A

Reference 7

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This paper cites Enders, Nicole M.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Enders, Nicole M

Reference 8

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This paper cites Automatic materials characterization from infrared spectra using convolutional neural networks.Chemical Science, 14(13):3600–3609, 2023.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Automatic materials characterization from infrared spectra using convolutional neural networks.Chemical Science, 14(13):3600–3609, 2023

Reference 9

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This paper cites Bemis and Mark A.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Bemis and Mark A

Reference 10

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This paper cites Attention Is All You Need.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Attention Is All You Need

Reference 11

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This paper cites Transformer-based models for predicting molecular structures from infrared spectra using patch-based self-attention.The Journal of Physical Chemistry A, 129(8):2077–2085, 2025.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Transformer-based models for predicting molecular structures from infrared spectra using patch-based self-attention.The Journal of Physical Chemistry A, 129(8):2077–2085, 2025

Reference 12

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Observation b23395ed-bb21-463a-83db-57110466f9cc · outbound

This paper cites Setting new benchmarks in ai-driven infrared structure elucidation.Digital Discovery, 4:1936–1943, 2025.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Setting new benchmarks in ai-driven infrared structure elucidation.Digital Discovery, 4:1936–1943, 2025

Reference 13

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This paper cites An Image is Worth 16x16 Words: Transformers for Image Recognition at Scale.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation An Image is Worth 16x16 Words: Transformers for Image Recognition at Scale

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This paper cites Smiles, a chemical language and information system.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Smiles, a chemical language and information system

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This paper cites NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization

Reference 16

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This paper cites Unraveling molecular structure: A multimodal spectroscopic dataset for chemistry, 2024.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Unraveling molecular structure: A multimodal spectroscopic dataset for chemistry, 2024

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This paper cites Lewis, Magnus J.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Lewis, Magnus J

Reference 18

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This paper cites IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra

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This paper cites Outrageously large neural networks: The sparsely-gated mixture-of-experts layer.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Outrageously large neural networks: The sparsely-gated mixture-of-experts layer

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This paper cites Switch transformers: Scaling to trillion parameter models with simple and efficient sparsity.Journal of Machine Learning Research, 23(120):1–39, 2022.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Switch transformers: Scaling to trillion parameter models with simple and efficient sparsity.Journal of Machine Learning Research, 23(120):1–39, 2022

Reference 21

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This paper cites Anderson, Grant Scott, James M Keller, Timothy C.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Anderson, Grant Scott, James M Keller, Timothy C

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This paper cites Anderson, Anthony J.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Anderson, Anthony J

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This paper cites Toward complete molecular structure prediction from infrared spec- troscopy using deep learning.Journal of chemical information and modeling, 66, 12 2025.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Toward complete molecular structure prediction from infrared spec- troscopy using deep learning.Journal of chemical information and modeling, 66, 12 2025

Reference 24

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This paper cites Representation learning with contrastive predictive coding,.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Representation learning with contrastive predictive coding,

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This paper cites Learning Transferable Visual Models From Natural Language Supervision.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Learning Transferable Visual Models From Natural Language Supervision

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This paper cites Coca: Contrastive captioners are image-text foundation models.Transactions on Machine Learning Research, 2022.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Coca: Contrastive captioners are image-text foundation models.Transactions on Machine Learning Research, 2022

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This paper cites Molecular contrastive learn- ing of representations via graph neural networks.Nature Machine Intelligence, 4:1–9, 03 2022.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Molecular contrastive learn- ing of representations via graph neural networks.Nature Machine Intelligence, 4:1–9, 03 2022

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This paper cites Multi-modal con- trastive learning for chemical structure elucidation with vibraclip.Digital Discovery, 4:3818–3827, 2025.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Multi-modal con- trastive learning for chemical structure elucidation with vibraclip.Digital Discovery, 4:3818–3827, 2025

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation End-to-end multimodal structure elucidation from raw spectra combining contrastive learning and evolutionary algorithms.Nature Communications, 17(5013), 2026

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation A theory of fuzzy measures: Representations, the choquet integral, and null sets.Journal of Mathematical Analysis and Applications, 159(2):532–549, 1991

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Unresolved cited work

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Generalized choquet fuzzy integral fusion

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation A decade of application of the choquet and sugeno integrals in multi-criteria decision aid.Annals of Operations Research, 175, 04 2008

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Does string-based neural mt learn source syntax? InProceedings of the 2019 Conference on Empirical Methods in Ntural Language Processing, pages 1526–1534, 01 2016

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This paper cites Peters, Mark Neumann, Mohit Iyyer, Matt Gardner, Christopher Clark, Kenton Lee, and Luke Zettlemoyer.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Peters, Mark Neumann, Mohit Iyyer, Matt Gardner, Christopher Clark, Kenton Lee, and Luke Zettlemoyer

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Exploiting deep representations for neural machine translation

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Gtrans: Grouping and fusing transformer layers for neural machine translation

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Adaptive mixtures of local experts.Neural Computation, 3:79–87, 03 1991

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation From sparse to soft mixtures of experts

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Soft merging of experts with adaptive routing.Transac- tions on Machine Learning Research, 2024

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This paper cites Price, Steven R.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Price, Steven R

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Layer Normalization

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Extended linear order statistic (elos) aggregation and regression

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation k-order additive discrete fuzzy measures and their representation.Fuzzy Sets and Systems, 92 (2):167–189, 1997

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Unresolved cited work

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation A deep learning model for predicting selected organic molecular spectra.Nature Computational Science, 3:1–8, 11 2023

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Hunter, Costas Bekas, and Alpha A

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation rdkit/rdkit: 2026_03_3 (Q1 2026) Release

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Inchi - the worldwide chemical structure identifier standard.Journal of cheminformatics, 5:7, 01 2013

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Why is tanimoto index an appropriate choice for fingerprint-based similarity calculations?Journal of Cheminformatics, 7(20), 05 2015

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Machine learning molecular dynamics for the simulation of infrared spectra.Chem

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Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation On the art of compiling and using ’drug-like’ chemical fragment spaces.ChemMedChem, 3:1503–7, 10 2008

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Observation d4fae975-79f4-44bb-a9ec-e738a565884d · outbound

This paper cites The national research platform: Stretched, multi-tenant, scientific kubernetes cluster.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation The national research platform: Stretched, multi-tenant, scientific kubernetes cluster

Reference 55

Resolution: unresolved; no resolver link, observed 2026-08-01T00:40:31.236316Z

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Observation 39d0c621-11b9-412f-bac4-ec18ccc4ceb0 · outbound

This paper cites Improving language understanding by generative pre-training, 2018.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Improving language understanding by generative pre-training, 2018

Reference 56

Resolution: unresolved; no resolver link, observed 2026-08-01T00:40:31.314183Z

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Observation 9cf28705-c34c-4621-b29f-419447435c41 · outbound

This paper cites RoFormer: Enhanced Transformer with Rotary Position Embedding.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation RoFormer: Enhanced Transformer with Rotary Position Embedding

Reference 57

Resolution: unresolved; no resolver link, observed 2026-08-01T00:40:31.372050Z

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Observation 9130a2a6-6f10-4065-ac68-5c2bc78649e5 · outbound

This paper cites Large-scale chemical language representations capture molecular structure and properties.Nature Machine Intelligence, 4(12): 1256–1264, 2022.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Large-scale chemical language representations capture molecular structure and properties.Nature Machine Intelligence, 4(12): 1256–1264, 2022

Reference 58

Resolution: unresolved; no resolver link, observed 2026-08-01T00:40:31.429006Z

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Observation 25c0a9b4-0d41-4ebe-9425-beaa826882c0 · outbound

This paper cites Pinar, Muhammad Aminul Islam, Derek T.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Pinar, Muhammad Aminul Islam, Derek T

Reference 59

Resolution: unresolved; no resolver link, observed 2026-08-01T00:40:31.557437Z

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Observation 6abcadb7-4348-49cd-9bd7-66de419e9e3e · outbound

This paper cites Representation Learning with Contrastive Predictive Coding.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Representation Learning with Contrastive Predictive Coding

Reference 2019

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Observation 5e5a8333-7fc0-4312-936d-54290d294973 · outbound

This paper cites an unresolved cited work.

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation Unresolved cited work

Reference 2026

Resolution: verified exact; doi, observed 2026-08-01T00:40:58.333405Z

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