Machine Learning on DNA-Encoded Library Count Data Using an Uncertainty-Aware Probabilistic Loss Function-Reference-Cited by-同舟云学术

Machine Learning on DNA-Encoded Library Count Data Using an Uncertainty-Aware Probabilistic Loss Function

Published:2022-05-10 Issue:10 Volume:62 Page:2316-2331
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lim Katherine S.¹²,Reidenbach Andrew G.³,Hua Bruce K.³⁴^ORCID,Mason Jeremy W.³⁵,Gerry Christopher J.³⁴,Clemons Paul A.³,Coley Connor W.¹³⁶^ORCID

Affiliation:

1. Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

2. Department of Biology, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

3. Chemical Biology and Therapeutics Science Program, Broad Institute, 415 Main Street, Cambridge, Massachusetts 02142, United States

4. Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, United States

5. Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States

6. Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

Funder

National Institute of General Medical Sciences

MIT UROP Office

NIBR Scholar's Program

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00041

Reference51 articles.

1. A Chemical Biology View of Bioactive Small Molecules and a Binder‐Based Approach to Connect Biology to Precision Medicines

2. Drugs, their targets and the nature and number of drug targets

3. Design, synthesis and selection of DNA-encoded small-molecule libraries

4. Small-molecule discovery from DNA-encoded chemical libraries

5. DNA-encoded chemistry: enabling the deeper sampling of chemical space

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