NovoFLAP: A ligand-based de novo design approach for the generation of medicinally relevant ideas

Journal of Chemical Information and Modeling

Volumn 50, Issue 7, 2010, Pages 1296-1303

  Damewood, James R ^a   Lemian, Charles L ^a   Masek, Brian B ^b  

^a ASTRAZENECA   (United Kingdom)

^b TRIPOS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER AIDED DESIGN;

BIOLOGICAL TARGETS; COMPUTER AIDED; DE NOVO DESIGN; DESIGN CHALLENGES; MOLECULAR SHAPES; PHARMACOPHORES; SCORING FUNCTIONS;

LIGANDS;

4 (3 PENTYLAMINO) 2,7 DIMETHYL 8 (2 METHYL 4 METHOXYPHENYL)PYRAZOLO(1,5 A)PYRIMIDINE; 4-(3-PENTYLAMINO)-2,7-DIMETHYL-8-(2-METHYL-4-METHOXYPHENYL)PYRAZOLO(1,5-A)PYRIMIDINE; LIGAND; PYRAZOLE DERIVATIVE; PYRIMIDINE DERIVATIVE; SEROTONIN TRANSPORTER;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DELIVERY SYSTEM; DRUG DESIGN;

ALGORITHMS; COMPUTER SIMULATION; DRUG DELIVERY SYSTEMS; DRUG DESIGN; LIGANDS; MOLECULAR STRUCTURE; PYRAZOLES; PYRIMIDINES; SEROTONIN PLASMA MEMBRANE TRANSPORT PROTEINS;

EID: 78049416427     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100080r     Document Type: Article

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