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Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics

K. Huang, T. Fu, W. Gao, Y. Zhao, Y. Roohani, J. Leskovec, C. Coley, C. Xiao, J. Sun, and M. Zitnik. (2021)cite arxiv:2102.09548.

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Juliane Connor

Keith Coley

Mortimer Frederick Coley

Adalbert Connor

Edward C Connor

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Therapeutics Data Commons: Machine Learning Datasets and Tasks for TherapeuticsK. Huang, T. Fu, W. Gao, Y. Zhao, Y. Roohani, J. Leskovec, C. Coley, C. Xiao, J. Sun, and M. Zitnik. (2021)cite arxiv:2102.09548.Uncertainty Quantification Using Neural Networks for Molecular Property Prediction.L. Hirschfeld, K. Swanson, K. Yang, R. Barzilay, and C. Coley. J. Chem. Inf. Model., 60 (8): 3770-3780 (2020)SCScore: Synthetic Complexity Learned from a Reaction Corpus.C. Coley, L. Rogers, W. Jr., and K. Jensen. J. Chem. Inf. Model., 58 (2): 252-261 (2018)Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design.W. Gao, R. Mercado, and C. Coley. ICLR, OpenReview.net, (2022)Learning to Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning.S. Gottipati, B. Sattarov, S. Niu, Y. Pathak, H. Wei, S. Liu, S. Blackburn, K. Thomas, C. Coley, J. Tang and 2 other author(s). ICML, volume 119 of Proceedings of Machine Learning Research, page 3668-3679. PMLR, (2020)An algorithmic framework for synthetic cost-aware decision making in molecular design.J. Fromer, and C. Coley. Nat. Comput. Sci., 4 (6): 440-450 (June 2024)Scientific discovery in the age of artificial intelligence.H. Wang, T. Fu, Y. Du, W. Gao, K. Huang, Z. Liu, P. Chandak, S. Liu, P. Katwyk, A. Deac and 20 other author(s). Nat., 620 (7972): 47-60 (2023)Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks.Y. Zhu, J. Hwang, K. Adams, Z. Liu, B. Nan, B. Stenfors, Y. Du, J. Chauhan, O. Wiest, O. Isayev and 3 other author(s). CoRR, (2023)The Synthesizability of Molecules Proposed by Generative Models.W. Gao, and C. Coley. CoRR, (2020)RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application.C. Coley, W. Jr., and K. Jensen. J. Chem. Inf. Model., 59 (6): 2529-2537 (2019)

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Disambiguation of "Coley, Connor W."

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Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics

Please choose a person to relate this publication to

Juliane Connor

Keith Coley

Mortimer Frederick Coley

Adalbert Connor

Edward C Connor

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Coley, Connor W."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics

Please choose a person to relate this publication to

Juliane Connor

Keith Coley

Mortimer Frederick Coley

Adalbert Connor

Edward C Connor

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
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APA
Chicago
DIN 1505
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Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics