Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-14T15:19:34.544402Z
Paper Citation Record · LEDGER
As of 16 August 2026, this Paper Citation Record lists 49 of 49 outbound references and 1 inbound Pith citation observation for arXiv:1908.01425.
A citation records a reference. It does not transfer a finding from one paper to another.
Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-14T15:19:34.544402Z
One-hop event checks from named stored sources.
Source: scholarly_work_events, retraction_status_cache, observed 2026-08-16T06:30:59.297886+00:00
Pith citing papers itemized under the disclosed page cap.
Source: paper_references, paper_reference_links, observed 2026-08-15T14:50:56.302467Z
A source-named dated measurement, never combined with another source.
Source: pith, observed 2026-08-15T18:16:14.067578Z
49 of 49 outbound references displayed
External citation measurements
No source-named external measurement is stored.
Observation 8be92180-b105-4a8f-b1f1-ed23b4c71cb7 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Elton, Zois Boukouvalas, Mark D
Reference 1
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation a644775a-d47c-4630-b539-5d6bcd9a20c9 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Estimation of the size of drug-like chemical space based on gdb-17 data.Journal of computer-aided molecular design, 27(8):675–679, 2013
Reference 2
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 3eeba718-dd66-4af5-8c89-e5505999a106 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Wei, David Duvenaud, José Miguel Hernández-Lobato, Benjamín Sánchez-Lengeling, Dennis Sheberla, Jorge Aguilera- Iparraguirre, Timothy D
Reference 3
Source-reported events for the cited work
Unavailable: canonical work link unavailable.
Observation c528e9f6-f838-42a8-bee4-9beee658c9a3 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Junction tree variational autoencoder for molecular graph generation, 2018
Reference 4
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation db4b464b-0d91-4fba-9e97-e7870677ea43 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Deep reinforcement learning for de-novo drug de- sign
Reference 5
Source-reported events for the cited work
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Observation aae10e9d-193a-48ab-9927-7d031b56f973 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Graph convolutional policy network for goal-directed molecular graph generation, 2018
Reference 6
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 63b8c8b7-4e72-46f1-9267-1c9255e7382c · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations High-throughput machine-learning-driven synthesis of full-heusler compounds
Reference 7
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation b87e685c-b994-4cf4-877e-95f1ae8a9f22 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations High-dimensional ma- terials and process optimization using data-driven ex- perimental design with well-calibrated uncertainty es- timates
Reference 8
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation e9bca61a-6e91-4b82-b188-a1a9253833f4 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Constrained bayesian optimization for au- tomatic chemical design, 2017
Reference 9
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 539b4016-a377-42fb-9b15-d317d3e2add5 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Graph kernels for chemical informatics
Reference 10
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 4e89bedf-685d-42c1-8ead-ec8e33eb6d9b · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Graph kernels for chemical compounds using topological and three- dimensional local atom pair environments.Neurocom- puting, 74(1-3):219–229, 2010
Reference 11
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 69f11a28-09c2-4ca8-8e7e-66becc3efe6a · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations A Tutorial on Bayesian Optimization of Expensive Cost Functions, with Application to Active User Modeling and Hierarchical Reinforcement Learning
Reference 12
Source-reported events for the cited work
Unavailable: canonical work link unavailable.
Observation bbbd56bf-6390-430b-84c2-59d51080c1b6 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Quantifying the chemical beauty of drugs.Nature chemistry, 4(2): 90, 2012
Reference 13
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation d98666ba-81b6-4060-bc31-6c26c2ffc1ed · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Smiles: A line no- tation and computerized interpreter for chemical struc- tures
Reference 14
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 64021392-e2ad-4e93-9ed6-709d1673f7cf · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Conditional molec- ular design with deep generative models
Reference 15
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 132e0891-7dde-474c-8f71-17449c3ecd5d · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Objective-reinforced generative adver- sarial networks (organ) for sequence generation models, 2017
Reference 16
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 038f370b-3aa0-4f9a-943c-0483ac167e76 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Optimization of Molecules via Deep Reinforcement Learning
Reference 17
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 0b86d678-d9b9-4ee0-95f4-7cf4eb8a00e6 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Learning multimodal graph-to-graph translation for molecular optimization, 2018
Reference 18
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation b11d0419-7a45-4435-b72b-796cc6e67a9a · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Predicting molec- ular properties with covariant compositional networks
Reference 19
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 7f9c53d5-684b-4672-ada4-2657a2d0f3e2 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Contextual decision processes with low bellman rank are pac- learnable
Reference 20
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation caac3216-58aa-4a99-876e-d2dcbe48595f · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Kusner, Brooks Paige, and José Miguel Hernández-Lobato
Reference 21
Source-reported events for the cited work
Unavailable: canonical work link unavailable.
Observation c8a4eefd-c2c8-4cf3-a029-0f93a2027e79 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contribu- tions
Reference 22
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 82bb229c-6446-4557-a75c-2b97d78e714b · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Route designer: a retrosynthetic analysis tool utilizing auto- mated retrosynthetic rule generation.Journal of chem- ical information and modeling , 49(3):593–602, 2009
Reference 23
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 310a3a4a-90f9-41f9-9615-c340f4daf4b9 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Prediction
Reference 24
Source-reported events for the cited work
Unavailable: canonical work link unavailable.
Observation e0de2346-e64e-492d-9b00-0d0f16ccdcbf · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Neural networks for the prediction of organic chemistry reactions
Reference 25
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation b4ac4e62-a67e-427f-9f39-6990422b6918 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Coley, Wengong Jin, Luke Rogers, Tim- othy F
Reference 26
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation a0432977-eb70-4846-8dd1-9f2415f4f9fe · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations No electron left behind: a rule-based expert system to predict chem- ical reactions and reaction mechanisms
Reference 27
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 35955543-348d-4210-b62e-2a08d0b1217b · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Computational prediction of chemical reactions: current status and outlook
Reference 28
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 6d2bcfa7-eb85-443d-94e8-7b21c1dc3968 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Coley, Regina Barzilay, and Tommi Jaakkola
Reference 29
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 77c57238-7a66-4ce2-be61-590b37e7fe18 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations found in transla- tion
Reference 30
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 57e30f46-8b16-4263-9693-747aea741adc · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Deriving neural architectures from sequence and graph kernels, 2017
Reference 31
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 5f144528-6d50-4bce-b860-f45f8cfaac63 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations A Model to Search for Synthesizable Molecules
Reference 32
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation faa86861-0833-4678-be34-ad6454ed249e · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Graph distances using graph union.Pattern Recognition Letters, 22(6-7):701–704, 2001
Reference 33
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 2e57ce76-97d5-4cc2-b2fc-1f3d21fc8e03 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Diffusion kernels on graphs and other discrete input spaces
Reference 34
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation d7e2f01f-b76f-42d6-8797-bea4fa5731f3 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Scalable, Active and Flexible Learning on Distributions
Reference 35
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation f809160d-4f23-442a-a468-df537459c6a5 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Chemi-net: a graph convolutional network for accurate drug property prediction
Reference 36
Source-reported events for the cited work
Unavailable: canonical work link unavailable.
Observation 119fb18e-ebaf-424a-9203-8cb4ffa07dee · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Graph convolutional neural networks for predicting drug-target interactions
Reference 37
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 78b43168-478a-4575-8dc7-c679ad156922 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Molecular graph con- volutions: moving beyond fingerprints
Reference 38
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 30ec43d9-4604-4cbf-b0a7-48433a9327d7 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations PhD thesis, 2014
Reference 39
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 8e27e961-1432-4ed1-9c79-d584dabbaaf0 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Neural Architecture Search with Bayesian Optimisation and Optimal Transport
Reference 40
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 705e4cbd-9a27-49d2-9bc0-f529705a72cc · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Practical Bayesian Optimization of Machine Learn- ing Algorithms
Reference 41
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 837a249c-c4f2-47d4-a890-5d1625653e96 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Collins, Jeff Schneider, Barnabas Poczos, and Eric P
Reference 42
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation bbbc7608-8caa-43fd-b402-4c55512822e9 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Unresolved cited work
Reference 43
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation e7f65daf-e9fe-48dc-8d08-968637a85b8d · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Relationships between octanol-water partition coefficient and aque- ous solubility
Reference 44
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 0e6bbf71-5354-4b20-903a-92951ab0ebe3 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Rdkit: Open-source cheminfor- matics, 2006
Reference 45
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation e51300c0-0903-4fc8-919a-63a415d1f7e6 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Zinc- a free database of commercially available compounds for vir- tual screening
Reference 46
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation dedc468e-1b21-4811-91d5-6f003fd43a66 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Visu- alizing data using t-sne.Journal of machine learning research, 9(Nov):2579–2605, 2008
Reference 47
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 08dbf305-723f-4fce-946e-82b5cdd1cdf3 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Unresolved cited work
Reference 338
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.
Observation 0b51a766-23b1-4c0f-8771-e0d57cae43b2 · outbound
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations Unresolved cited work
Reference 2017
Source-reported events for the cited work
Unavailable: canonical work link unavailable.
Observation 2efb2782-3356-4337-a05a-07a400525884 · inbound
Bi-semantic Chemical Embedder for Joint Representation Learning of SMILES and Natural Language ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations
Reference 62
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.