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Molecular Informatics

Volumn 33, Issue 1, 2014, Pages 8-14

Bilinear model for the size-dependency of the CYP3A4 inhibitory activity of structurally diverse compounds

(2) Buchwald, Peter a Yamashita, Fumiyoshi b

a UNIVERSITY OF MIAMI MILLER SCHOOL OF MEDICINE (United States)

b KYOTO UNIVERSITY (Japan)

Author keywords

Cytochromes; Metabolism; Molecular modeling; Structure activity relationships

Indexed keywords

BILINEAR APPROACH; BILINEAR MODELS; DESCRIPTORS; IMIDAZOLE MOIETY; INDICATOR VARIABLES; INHIBITORY ACTIVITY; MOLECULAR SIZE; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS ANALYSIS; SIZE DEPENDENCY; STRUCTURE-ACTIVITY RELATIONSHIPS;

BIOASSAY;

CYTOCHROME P450 3A4; CYTOCHROME P450 INHIBITOR; ERYTHROMYCIN; IMIDAZOLE; KETOCONAZOLE; PIPERAZINE; TRIAZOLE;

ARTICLE; BILINEAR MODEL; CONFORMATIONAL TRANSITION; DRUG ACTIVITY; DRUG METABOLISM; ENZYME INHIBITION; GENETIC ALGORITHM; HYDROGEN BOND; IC 50; LIPOPHILICITY; MOLECULAR MODEL; MOLECULAR SIZE; MOLECULAR WEIGHT; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL;

EID: 84893258623 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201300132 Document Type: Article

Times cited : (2)

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