Model-free drug-likeness from fragments

Journal of Chemical Information and Modeling

Volumn 50, Issue 8, 2010, Pages 1387-1394

  Ursu, Oleg ^a   Oprea, Tudor I ^a  

^a UNIVERSITY OF NEW MEXICO SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DRUG PRODUCTS;

ADDITIONAL FILTERS; DATA SET; DRUG DESIGN; MEDICINAL CHEMISTRY; MODEL FREE; MOLECULAR FRAGMENTS; OVERFITTING; REFERENCE SET;

CHEMICALS;

DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; FACTUAL DATABASE; MOLECULAR WEIGHT;

DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; NEURAL NETWORKS (COMPUTER); PHARMACEUTICAL PREPARATIONS; SOFTWARE;

EID: 77956028583     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100202p     Document Type: Article

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