Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets-Reference-Cited by-同舟云学术

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Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets

Published:2017-11-13 Issue:12 Volume:14 Page:4462-4475
ISSN:1543-8384
Container-title:Molecular Pharmaceutics
language:en
Short-container-title:Mol. Pharmaceutics

Author:

Korotcov Alexandru¹,Tkachenko Valery¹,Russo Daniel P.²³,Ekins Sean²^ORCID

Affiliation:

1. Science Data Software, LLC, 14914 Bradwill Court, Rockville, Maryland 20850, United States

2. Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States

3. The Rutgers Center for Computational and Integrative Biology, Camden, New Jersey 08102, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Pharmaceutical Science,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.molpharmaceut.7b00578

Reference125 articles.

1. PubChem Substance and Compound databases

2. Anon The PubChem Database.http://pubchem.ncbi.nlm.nih.gov/.

3. ChEMBL: a large-scale bioactivity database for drug discovery

4. Bigger data, collaborative tools and the future of predictive drug discovery

5. Support vector machines

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