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Improving Measures of Chemical Structural Similarity Using Machine Learning on Chemical-Genetic Interactions.

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Bibliographic Details
Title: Improving Measures of Chemical Structural Similarity Using Machine Learning on Chemical-Genetic Interactions.
Authors: Safizadeh H; Department of Electrical and Computer Engineering, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, United States.; Department of Computer Science and Engineering, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, United States., Simpkins SW; Bioinformatics and Computational Biology Graduate Program, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, United States., Nelson J; Bioinformatics and Computational Biology Graduate Program, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, United States., Li SC; The Donnelly Centre, University of Toronto, Toronto, Ontario M5S 3E1, Canada.; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Piotrowski JS; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Yoshimura M; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Yashiroda Y; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Hirano H; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Osada H; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Yoshida M; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan.; Department of Biotechnology and Collaborative Research Institute for Innovative Microbiology, The University of Tokyo, Bunkyo City, Tokyo 113-8654, Japan., Boone C; The Donnelly Centre, University of Toronto, Toronto, Ontario M5S 3E1, Canada.; Department of Molecular Genetics, University of Toronto, Toronto, Ontario M5S 3E1, Canada.; RIKEN Center for Sustainable Resource Science (CSRS), Wako, Saitama 351-0198, Japan., Myers CL; Department of Computer Science and Engineering, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, United States.; Bioinformatics and Computational Biology Graduate Program, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2021 Sep 27; Vol. 61 (9), pp. 4156-4172. Date of Electronic Publication: 2021 Jul 28.
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.0c00993