SHAFTS: A hybrid approach for 3D molecular similarity calculation. 1. method and assessment of virtual screening

Journal of Chemical Information and Modeling

Volumn 51, Issue 9, 2011, Pages 2372-2385

  Liu, Xiaofeng ^a,b   Jiang, Hualiang ^b   Li, Honglin ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES; PHARMACODYNAMICS; SCAFFOLDS; VIRTUAL REALITY;

ACTIVE COMPOUNDS; BIOACTIVE COMPOUNDS; MOLECULAR SHAPES; MOLECULAR SIMILARITY; SCAFFOLD HOPPING; SIMILARITY CALCULATION; SIMILARITY METRICS; VIRTUAL SCREENING;

CALCULATIONS;

ARTICLE; CHEMICAL STRUCTURE; DRUG SCREENING;

DRUG EVALUATION, PRECLINICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 80053324958     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200060s     Document Type: Article

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