Simultaneous modeling of antimycobacterial activities and ADMET profiles: A chemoinformatic approach to medicinal chemistry

Current Topics in Medicinal Chemistry

Volumn 13, Issue 14, 2013, Pages 1656-1665

  Speck Planche, Alejandro ^a   Cordeiro, M N D S ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

ADMET; Antimycobacterial; Fragment; Linear discriminant analysis; Mtk QSBER; Spectral moments

Indexed keywords

BEDAQUILINE; CYTOCHROME P450 1A2; CYTOCHROME P450 2C19; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 3A4;

ANTIBACTERIAL ACTIVITY; ARTICLE; DRUG ABSORPTION; DRUG BIOAVAILABILITY; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; HUMAN; MINIMUM INHIBITORY CONCENTRATION; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTI-BACTERIAL AGENTS; CHEMISTRY, PHARMACEUTICAL; COMPUTATIONAL BIOLOGY; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS;

EID: 84887943890     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/15680266113139990116     Document Type: Article

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