Simultaneous virtual prediction of anti- escherichia coli activities and admet profiles: A chemoinformatic complementary approach for high-throughput screening

ACS Combinatorial Science

Volumn 16, Issue 2, 2014, Pages 78-84

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

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

ADMET; antibacterial; linear discriminant analysis; mtk QSBER; TOMOCOMD

Indexed keywords

ANTIINFECTIVE AGENT;

ANIMAL; ARTICLE; CHEMISTRY; DRUG EFFECT; ESCHERICHIA COLI; FORECASTING; HIGH THROUGHPUT SCREENING; HUMAN; METABOLISM; METHODOLOGY; MOUSE; PROTEIN SECONDARY STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT;

ANIMALS; ANTI-BACTERIAL AGENTS; ESCHERICHIA COLI; FORECASTING; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; MICE; PROTEIN STRUCTURE, SECONDARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS;

EID: 84893867108     PISSN: 21568952     EISSN: None     Source Type: Journal    
DOI: 10.1021/co400115s     Document Type: Article

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