"In-house likeness": Comparison of large compound collections using artificial neural networks

Journal of Chemical Information and Modeling

Volumn 45, Issue 4, 2005, Pages 888-893

  Muresan, Sorel ^a   Sadowski, Jens ^a  

^a ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; DRUG PRODUCTS; DRUG PRODUCTS PLANTS; GRAPH THEORY; NEURAL NETWORKS; SCREENING;

COMPOUND COLLECTIONS; DATA SETS; MOLECULAR DESCRIPTORS; TAUTOMERS;

CHEMICAL INDUSTRY;

DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMISTRY; COMBINATORIAL CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DATA BASE; METHODOLOGY; STRUCTURE ACTIVITY RELATION; SYNTHESIS;

COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DATABASES; NEURAL NETWORKS (COMPUTER); PHARMACEUTICAL PREPARATIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 23844493874     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci049702o     Document Type: Article

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