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Paper Citation Record · LEDGER

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration

As of 18 August 2026, this Paper Citation Record lists 57 of 57 outbound references and 1 inbound Pith citation observation for arXiv:2508.21468.

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

pith.paper-citation-record.v1
2508.21468 v1

Coverage vector

measured 57 of 57 reference resolution

Typed states for the displayed outbound observations.

Source: paper_references, paper_reference_links, observed 2026-08-05T14:25:31.339421Z

measured 58 of 58 standing notices

One-hop event checks from named stored sources.

Source: scholarly_work_events, retraction_status_cache, observed 2026-08-18T06:34:40.430872+00:00

measured 1 of 1 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links, observed 2026-06-28T15:56:09.312666Z

measured 0 of 1 external citation measurements

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

Source: arxiv_reference, observed 2026-07-01T21:56:16.227901Z

Reference resolution

57 of 57 outbound references displayed

  • verified exact2
  • verified fuzzy38
  • unresolved16
  • parse uncertain0
  • malformed identifier1
  • metadata mismatch0

External citation measurements

No source-named external measurement is stored.

Outbound references

Observation a3d9517c-6948-408d-8383-7af5eb2e1754 · outbound

This paper cites Accurate structure prediction of biomolecular interactions with alphafold 3.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Accurate structure prediction of biomolecular interactions with alphafold 3

Reference 1

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no resolver link, observed 2026-08-05T14:25:26.514834Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

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Observation 4bacf021-a84d-40a9-9ea6-43e7e510f6ef · outbound

This paper cites Protein sequence modelling with bayesian flow networks.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Protein sequence modelling with bayesian flow networks

Reference 2

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.922485Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

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Observation 3c3e4d77-9c29-4f60-b393-0b2981d5b957 · outbound

This paper cites Geometric deep learning methods and applications in 3d structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Geometric deep learning methods and applications in 3d structure-based drug design

Reference 3

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.910875Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

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Observation 318f2416-f1ab-4dc7-a27b-fe65ae3fcb43 · outbound

This paper cites Equivariant Energy-Guided SDE for Inverse Molecular Design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Equivariant Energy-Guided SDE for Inverse Molecular Design

Reference 4

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unresolved
no resolver link, observed 2026-08-05T14:25:26.697348Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:26.697348Z digest=sha256:92528a75c02026affbe5b8a246529598d93baaabe800493dcf6ef36790e03965

Observation b6f900e0-c1be-483d-9404-e370738b467c · outbound

This paper cites Posebusters: Ai-based docking methods fail to generate physically valid poses or generalise to novel sequences.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Posebusters: Ai-based docking methods fail to generate physically valid poses or generalise to novel sequences

Reference 5

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.899307Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:26.763247Z digest=sha256:50b56629fb5ee71b1a08c2588d607175f00d52da7d625b3d5bfb2b62ad32d180

Observation 98ef91fa-49af-4542-ba35-b0d28b6a0347 · outbound

This paper cites Pid- iff: Physics informed diffusion model for protein pocket-specific 3d molecular generation.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Pid- iff: Physics informed diffusion model for protein pocket-specific 3d molecular generation

Reference 6

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.888082Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:26.841297Z digest=sha256:63c81cb4a5199784705655d703f35e48aeb69768f123840dc4568fff1125b843

Observation 179abc6c-775e-479d-be29-aaa145361f06 · outbound

This paper cites Diffusion posterior sampling for general noisy inverse problems.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Diffusion posterior sampling for general noisy inverse problems

Reference 7

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.877398Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:26.929990Z digest=sha256:ab21731a9cec25781998a9e22e26b77675cc1caca92046508c95d98734eb66fa

Observation af2d385f-5358-4730-b16c-36437d9eadde · outbound

This paper cites Uniprot: a worldwide hub of protein knowledge.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Uniprot: a worldwide hub of protein knowledge

Reference 8

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.865764Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.024445Z digest=sha256:fa06e94efed401499d712135744fde187ec5f9bdc80f585d1530001cea6f4e7c

Observation c0fac689-af22-4d48-a0e8-9f515df84aca · outbound

This paper cites Multi-parameter optimization: identifying high quality compounds with a balance of properties.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Multi-parameter optimization: identifying high quality compounds with a balance of properties

Reference 9

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.855286Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.089396Z digest=sha256:a927346f191d497975e9b51ff45cd80905cf8eeb40422dc9a08c4abe761b93dc

Observation 0e59f98b-a02c-401a-a85e-691f2e72b2bf · outbound

This paper cites Comprehensive analysis of kinase inhibitor selectivity.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Comprehensive analysis of kinase inhibitor selectivity

Reference 10

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no resolver link, observed 2026-08-05T14:25:27.169773Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:27.169773Z digest=sha256:94b07c081907c15e7a2265add2dd512c43f780f63a5ea78b8f8448e7bdc0e927

Observation c7ffd768-1954-40ef-875c-57ba0bdf8751 · outbound

This paper cites Diffusion models beat gans on image synthesis.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Diffusion models beat gans on image synthesis

Reference 11

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unresolved
no resolver link, observed 2026-08-05T14:25:27.249667Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:27.249667Z digest=sha256:eaacf8b8e776818f5ca0da8a3703bf37f5f9e2a4c0fa7637259aaaa700e7957e

Observation 3ab3b6be-f575-469d-9570-4c93c09096df · outbound

This paper cites Autodock vina 1.2.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Autodock vina 1.2

Reference 12

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.830458Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.314201Z digest=sha256:8ad448e3a838f046daef720e8f21bdab3822c9c091f586220390f03473929156

Observation 3de22a8b-2936-4993-9244-d8ede7f5e13b · outbound

This paper cites Tweedie’s formula and selection bias.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Tweedie’s formula and selection bias

Reference 13

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unresolved
no resolver link, observed 2026-08-05T14:25:27.398826Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

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Observation c622c464-ec52-495b-8f13-9ebf3428af75 · outbound

This paper cites Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Reference 14

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.812408Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.486828Z digest=sha256:f4227265147084b1af35654ac07772a32aabe6b3cc895887c1b6d8be66d809c8

Observation bff8ed79-5779-4a2b-ae68-5aabff2e0276 · outbound

This paper cites Three-dimensional convolutional neural networks and a cross- docked data set for structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Three-dimensional convolutional neural networks and a cross- docked data set for structure-based drug design

Reference 15

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.801989Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.553098Z digest=sha256:df9dfb726212e83eb0f9461aa71414f4965b64d94d927eda61a225c0be4c0656

Observation 4c77817e-4aab-46b8-a2e1-7ca8182d21d2 · outbound

This paper cites Reinforced genetic algorithm for structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Reinforced genetic algorithm for structure-based drug design

Reference 16

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.791132Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.630009Z digest=sha256:ba9f98d2ea235c0cf96d732447ceac37bb244096aa9a006ce3ec19046a24c19a

Observation 46b43fad-9298-4ff8-82d9-b140a20dca0f · outbound

This paper cites Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion

Reference 17

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no resolver link, observed 2026-08-05T14:25:27.708522Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:27.708522Z digest=sha256:e0d3fab1e7826ef6cdaa0ffd6b76a1ccb5b1c11ef91d9c4db716bea601bb3569

Observation 5ca183c5-1d0b-49a6-9a86-257db7286feb · outbound

This paper cites Bayesian Flow Networks.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Bayesian Flow Networks

Reference 18

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no resolver link, observed 2026-08-05T14:25:27.775723Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:27.775723Z digest=sha256:621e67faa3bd12492967595d444bb470a0f217eda3cc2922d254447df4014844

Observation 7e09d8f5-750d-4f95-8920-39a1015a8a24 · outbound

This paper cites Aligning target-aware molecule diffusion models with exact energy optimization.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Aligning target-aware molecule diffusion models with exact energy optimization

Reference 19

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.781390Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:27.893286Z digest=sha256:0e56c1b802028f7f478ecd2626e3047b8156780f06b9565111bf4ea1ca3c4e80

Observation a3d6ecd8-53b9-496b-b6e8-8a0fdb310be9 · outbound

This paper cites 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction

Reference 20

Resolution
unresolved
no resolver link, observed 2026-08-05T14:25:27.970113Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:27.970113Z digest=sha256:1c5aa523a059fb6b6511e42a0956a54a50c5091401c5af772ab5846e99805b3b

Observation 9feb90b4-d6d5-4e3b-bcb0-1fcb0e07f3b5 · outbound

This paper cites DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design

Reference 21

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no resolver link, observed 2026-08-05T14:25:28.012501Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:28.012501Z digest=sha256:f45d74804efaccbfac774c031bf942f9c97a34a2ec17f2f4144d5c9b6aa05a02

Observation a5feea8d-7175-412c-8958-6aea03dbb2fa · outbound

This paper cites Gradient Guidance for Diffusion Models: An Optimization Perspective.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Gradient Guidance for Diffusion Models: An Optimization Perspective

Reference 22

Resolution
unresolved
no resolver link, observed 2026-08-05T14:25:28.120881Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:28.120881Z digest=sha256:ea14c83655e8abeda020e4dffc6e82680ad19ecd203ac8ccfde6704218719cae

Observation 2060369a-838e-4dec-addc-4ecf849b793b · outbound

This paper cites Training- free multi-objective diffusion model for 3d molecule generation.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Training- free multi-objective diffusion model for 3d molecule generation

Reference 23

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.771796Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.182243Z digest=sha256:0e8178b18997b0b21469406f1185fdd4bc20dcc6dd8615e8c5f68ec828ffa67b

Observation a9931f27-b7e7-4b53-a45f-e4ee13bdd8e7 · outbound

This paper cites Posecheck: Generative models for 3d structure-based drug design produce unrealistic poses.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Posecheck: Generative models for 3d structure-based drug design produce unrealistic poses

Reference 24

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.760442Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.248770Z digest=sha256:d0cfe4b71ebf33af1cb94c1ea7951ebffd4780e6708ef559c4c10ef77f578933

Observation 5057ed33-0ed7-42bc-8f74-c7608534345a · outbound

This paper cites Protein-ligand interaction prior for binding- aware 3d molecule diffusion models.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Protein-ligand interaction prior for binding- aware 3d molecule diffusion models

Reference 25

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.749542Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.344035Z digest=sha256:da6be6d88c133be6de62ce04d02cc9cb277bb4ee76b85b881ff13dc7b10d8c57

Observation f95ea69a-eb56-4cd1-9aad-f8871d8cf413 · outbound

This paper cites Rational approaches to improving selectivity in drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Rational approaches to improving selectivity in drug design

Reference 26

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.739050Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.479751Z digest=sha256:41b4e0c244b9dcd52b9bb16dd788a9602ce6fd0c5b2b5e307ae5be6ed9e9d3af

Observation dfb58398-b767-4cc3-b3ca-7dd20043e546 · outbound

This paper cites A quantitative analysis of kinase inhibitor selectivity.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration A quantitative analysis of kinase inhibitor selectivity

Reference 27

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.726398Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.561654Z digest=sha256:eb2a43b018008554818f44768f2ebd116a8ee54ed5d817efb9893ae66bacee18

Observation 417424e6-728b-4418-a579-dab5d851a69b · outbound

This paper cites Noise2score: tweedie’s approach to self-supervised image denoising without clean images.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Noise2score: tweedie’s approach to self-supervised image denoising without clean images

Reference 28

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.714270Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.686863Z digest=sha256:bd9ec73077ec58f777c060269f16b4148db7a497557ae86d651ebffe2ac62708

Observation aedf26a6-bb0f-469d-9893-d5dd626fa00b · outbound

This paper cites Recent developments in structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Recent developments in structure-based drug design

Reference 29

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verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.703934Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.816716Z digest=sha256:581dd9bd9348a70a676e8e5541b2cee5e994f5af01f95b88dfba9c5eb5d45220

Observation 80d40693-b026-462e-84f1-9895cea71a9e · outbound

This paper cites Lessons learned in empirical scoring with smina from the csar 2011 benchmarking exercise.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Lessons learned in empirical scoring with smina from the csar 2011 benchmarking exercise

Reference 30

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.693739Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:28.931506Z digest=sha256:46511d30241f95b88268cf9fef697b28e2f2c2a8009853f3e33baa02af5b18b9

Observation 78adbec1-0a09-401d-832d-bd35e2329254 · outbound

This paper cites A 3d generative model for structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration A 3d generative model for structure-based drug design

Reference 31

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.683320Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.043798Z digest=sha256:8f31529372b4ee569918b2ed053dbe02c9eef1ce4177c3c066663396003ee4b5

Observation 76804ed2-7673-4633-aa5f-1b54f711b2a4 · outbound

This paper cites Gnina 1.0: molecular docking with deep learning.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Gnina 1.0: molecular docking with deep learning

Reference 32

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.673382Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.127500Z digest=sha256:3580758373120ac467bde060a0c618a8be5b4f69fd16b3ed4123522fbdb05bc2

Observation b03e1972-15a5-48d2-992e-ec8d8ccbcd94 · outbound

This paper cites 3d molecule generation by denoising voxel grids.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration 3d molecule generation by denoising voxel grids

Reference 33

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.661728Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.215327Z digest=sha256:6847e49cbeb351c0062eab264a2c8c5404587f85e7f009d4a25d6edc033f5304

Observation 303244e1-558e-445b-8f24-694736762545 · outbound

This paper cites Pocket2mol: Efficient molecular sampling based on 3d protein pockets.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Pocket2mol: Efficient molecular sampling based on 3d protein pockets

Reference 34

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.608080Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.285907Z digest=sha256:269103654a74df478023768f568b8fc1f7fa28fa73b125cc77819d6537fa8489

Observation a3b8f302-f1bd-46a0-82f8-b76b8c1bb878 · outbound

This paper cites MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation

Reference 35

Resolution
unresolved
no resolver link, observed 2026-08-05T14:25:29.394587Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:29.394587Z digest=sha256:5df3586675c039ac0946793d074b4f688ac147b151a187a418d46f5d2ea0e4cd

Observation 9bb84b3e-45aa-43dc-be7c-b462c49d6638 · outbound

This paper cites Geometric deep learning for structure-based ligand design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Geometric deep learning for structure-based ligand design

Reference 36

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.419346Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.483161Z digest=sha256:452024110f84f7e5aca2e0feff5bb852f54375ac04ece757ed6e92779cf9de5f

Observation 7229f47d-e83e-4b4f-9ddb-0d06fc7db79a · outbound

This paper cites Molcraft: Structure-based drug design in continuous parameter space.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Molcraft: Structure-based drug design in continuous parameter space

Reference 37

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.243750Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.597946Z digest=sha256:b1a5ecaadd9087925bc99e5b1c2de51af562237667c30e69ce88af93042ae24f

Observation 40e7c504-d5ca-44ff-bb22-caf082a2701b · outbound

This paper cites Generating 3d molecules con- ditional on receptor binding sites with deep generative models.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Generating 3d molecules con- ditional on receptor binding sites with deep generative models

Reference 38

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:35.043630Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.675003Z digest=sha256:7ac3ca43dca578df323d849401e0956502d7ef247174dff7058516606bc3970f

Observation 539b5194-2d31-4058-896d-677fa4aba21d · outbound

This paper cites Structure-based drug design with equivariant diffusion models, 2023.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Structure-based drug design with equivariant diffusion models, 2023

Reference 39

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:34.748192Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.751063Z digest=sha256:1ea14fa4c5e8bd38b9142709f98bc72b311e16de5366245c17bb095dea8169e4

Observation 916f60f3-f3d0-4a6a-9a44-818136a284f7 · outbound

This paper cites Structure-based drug design with equivariant diffusion models.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Structure-based drug design with equivariant diffusion models

Reference 40

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:34.474999Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:29.817784Z digest=sha256:d53c9f342b5eb4f636724aa6f18a673e8a8482d335270fb510582d4c747a88d8

Observation 80e0e365-2cc7-4269-af1e-7514071941a0 · outbound

This paper cites On the Pitfalls of Heteroscedastic Uncertainty Estimation with Probabilistic Neural Networks.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration On the Pitfalls of Heteroscedastic Uncertainty Estimation with Probabilistic Neural Networks

Reference 41

Resolution
unresolved
no resolver link, observed 2026-08-05T14:25:29.931810Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:29.931810Z digest=sha256:930b82299fc2d37391dddf489bcbf550ad31e9a642ff60eed96483fc8c90c0b6

Observation 1b4e9a2e-f68c-40de-93cf-2055dd84b713 · outbound

This paper cites Tacogfn: Target-conditioned gflownet for structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Tacogfn: Target-conditioned gflownet for structure-based drug design

Reference 42

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:34.226009Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.047436Z digest=sha256:8bc08bc457c6fd46f913e164d4f6ba95ed7206bd8011318b64013ef831b0d25c

Observation 0a13d31b-cfbb-42b0-a166-11c282b495d3 · outbound

This paper cites TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design

Reference 43

Resolution
verified exact
local_arxiv, observed 2026-08-05T14:25:31.729773Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.149222Z digest=sha256:f6d7ed2d44c5a2db2fc592dedfc9c76f3ad87905a536fe65622387cb5d279312

Observation 95c506fb-3ed8-416f-80e4-08e8f1cb836f · outbound

This paper cites From target to drug: generative modeling for the multimodal structure-based ligand design.Molecular pharmaceutics, 16(10):4282–4291, 2019.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration From target to drug: generative modeling for the multimodal structure-based ligand design.Molecular pharmaceutics, 16(10):4282–4291, 2019

Reference 44

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:34.031008Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.244844Z digest=sha256:db51b6d08eccd574f192e2ee57ef9353ad290e39f9902f294303befc1dd9a96a

Observation 496a8d85-c63e-467f-a53e-0a3d90e1669c · outbound

This paper cites Score-Based Generative Modeling through Stochastic Differential Equations.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Score-Based Generative Modeling through Stochastic Differential Equations

Reference 45

Resolution
unresolved
no resolver link, observed 2026-08-05T14:25:30.313220Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-05T14:25:30.313220Z digest=sha256:c4fb217c00cccd440e86f1482428eddc51da1f7d664dbb56e5ff0d16daf4ab70

Observation 8e59c6ef-d98c-4cb6-a9ba-0f55e3d0338d · outbound

This paper cites Unified generative modeling of 3d molecules with bayesian flow networks.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Unified generative modeling of 3d molecules with bayesian flow networks

Reference 46

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:33.873781Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.394275Z digest=sha256:bc3d91f2d48ae40f282b20a647d65231c8f76e6c805e49638eca62ec8edb4d8d

Observation d1a15dbc-e954-4b4f-b6c3-59c202c6162e · outbound

This paper cites Selective optimization of side activities: another way for drug discovery.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Selective optimization of side activities: another way for drug discovery

Reference 47

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:33.689922Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.529703Z digest=sha256:b8a1a52013199815072b44c884b21fb0b201cdb7bd69bde8a2d0261bc671b8e5

Observation 61daa666-f283-4118-8a0d-e766d873e290 · outbound

This paper cites Learning subpocket prototypes for generalizable structure-based drug design.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Learning subpocket prototypes for generalizable structure-based drug design

Reference 48

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:33.508353Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.627743Z digest=sha256:955f9ddc07f4cb73e7697c9f764f7aada8c4aceed611173a7033ad1d80b74daa

Observation e3e189fc-c547-47ab-b1ad-4794fd956ab3 · outbound

This paper cites Molecule generation for target pro- tein binding with structural motifs.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Molecule generation for target pro- tein binding with structural motifs

Reference 49

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:33.348023Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.699013Z digest=sha256:c23ad4a765969e1cf78e444d76a9b80b5e4b29765a882fefbb9c2f0c768b5a25

Observation 6fe4ccaf-4330-442b-ad39-5d0e1bbf8f94 · outbound

This paper cites Geometric Deep Learning for Structure-Based Drug Design: A Survey.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Geometric Deep Learning for Structure-Based Drug Design: A Survey

Reference 50

Resolution
verified exact
local_arxiv, observed 2026-08-05T14:25:31.511955Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.791122Z digest=sha256:1bf5e9744d13057125335f27165b0fd08a55f5efd3abe3b08b4c566cb6fbf3d2

Observation 473074fa-b053-4931-abec-30281d4c7a75 · outbound

This paper cites known unknown.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration known unknown

Reference 51

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:33.150214Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.895618Z digest=sha256:7cfa0d4fcf58a2f42a7081424f4a4e0952d47e328414fdb7723ad481dd078325

Observation 637c19c6-7dac-4ef8-8266-19a9b8d8e8d3 · outbound

This paper cites an unresolved cited work.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Unresolved cited work

Reference 52

Resolution
unresolved
raw_fallback, observed 2026-08-05T14:25:32.974261Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:30.963695Z digest=sha256:a5ab8094ec971664b90192e35a4f707209cc431871d8010ae726af0251282411

Observation b0d98ba8-6690-423c-a925-0a37e10522d4 · outbound

This paper cites an unresolved cited work.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Unresolved cited work

Reference 53

Resolution
unresolved
raw_fallback, observed 2026-08-05T14:25:32.799964Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:31.071125Z digest=sha256:86ca21c724707e648d5ef80e036d11f09ec28d49d608e9df16fe35fcef5dcca8

Observation fdf75671-3e8e-4701-8255-57d0eea07636 · outbound

This paper cites Here h(θi−1, yi, αi) computes the posterior parameter after observing yi with precision αi, given the prior θi−1.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Here h(θi−1, yi, αi) computes the posterior parameter after observing yi with precision αi, given the prior θi−1

Reference 54

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:32.571158Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:31.149120Z digest=sha256:6a8adee60e362b0d41bfe5b4052aa75dcb02316ff22e29e4a15448cb8c5b7f59

Observation 5c10dfd4-1644-4947-af80-d0435e69b56d · outbound

This paper cites In contrast, diffusion models explicitly add random noise to samples at each step to maintain stochasticity.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration In contrast, diffusion models explicitly add random noise to samples at each step to maintain stochasticity

Reference 55

Resolution
verified fuzzy
raw_fallback, observed 2026-08-05T14:25:32.356065Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:31.223917Z digest=sha256:0659ab2a873e8d7255de9d49c125ddc73eb5e5f2efff03a86db120d86cc54bc3

Observation 66be65b3-41ec-4830-943a-e9d2bffc65f8 · outbound

This paper cites an unresolved cited work.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Unresolved cited work

Reference 56

Resolution
unresolved
raw_fallback, observed 2026-08-05T14:25:32.178924Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:31.300974Z digest=sha256:bf8cdfcaf0b69efd37e681ffbaf7d57cfca01c58aeeaef94f32dd9560c0b19d7

Observation 36b354fe-8d4c-4f37-8624-acd9b4bddcb7 · outbound

This paper cites Only Generation Type.

Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration Only Generation Type

Reference 57

Resolution
malformed identifier
raw_fallback, observed 2026-08-05T14:25:31.976708Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-08-05T14:25:31.339421Z digest=sha256:23d61db3ffaafca464ca6375f60521a879947170bf595e6abaf2dd78fd748c5e

Pith citing papers

Observation d5d78610-e890-4564-870e-e67b5c4030ad · inbound

Uncertainty-Calibrated Diffusion for Reliable 3D Molecular Graph Generation cites this paper.

Uncertainty-Calibrated Diffusion for Reliable 3D Molecular Graph Generation Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration

Reference 7

Resolution
verified exact
arxiv_id, observed 2026-07-01T21:56:16.229264Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-18T06:34:40.430872+00:00.

source=pdf_text observed=2026-06-28T15:56:09.312666Z digest=sha256:7bdf069e096e5e347c866e2cf67b4e8aa15d349ba23db3bd3a2da84301687a7f