Modeling epoxidation of drug-like molecules with a deep machine learning network

ACS Central Science

Volumn 1, Issue 4, 2015, Pages 168-180

  Hughes, Tyler B ^a   Miller, Grover P ^b   Swamidass, S Joshua ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; BIOMOLECULES; EPOXIDATION; METABOLITES; MOLECULES; SEPARATION;

AREA UNDER THE CURVE (AUC); CARBON-OXYGEN BONDS; DIRECT MODIFICATION; EPOXIDATION REACTIONS; INTRINSIC REACTIVITY; MODEL ALGORITHMS; REACTIVE METABOLITES; SPECIFIC LOCATION;

DEEP LEARNING;

EID: 84945573112     PISSN: 23747943     EISSN: 23747951     Source Type: Journal    
DOI: 10.1021/acscentsci.5b00131     Document Type: Article

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