ADMET evaluation in drug discovery. 13. Development of in silico prediction models for p-glycoprotein substrates

Molecular Pharmaceutics

Volumn 11, Issue 3, 2014, Pages 716-726

  Li, Dan ^a   Chen, Lei ^b   Li, Youyong ^b   Tian, Sheng ^b   Sun, Huiyong ^b   Hou, Tingjun ^a,b  

^a ZHEJIANG UNIVERSITY   (China)

^b SOOCHOW UNIVERSITY   (China)

Author keywords

ADME; ADMET; fingerprint; naive Bayesian classification; P glycoprotein; substrates

Indexed keywords

MULTIDRUG RESISTANCE PROTEIN;

ACCURACY; ARTICLE; BAYES THEOREM; COMPUTER MODEL; DRUG DESIGN; HYDROGEN BOND; LIPID SOLUBILITY; MOLECULAR WEIGHT; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; ANTAGONISTS AND INHIBITORS; CHEMICAL MODEL; COMPUTER SIMULATION; DRUG DEVELOPMENT; DRUG SCREENING; ENZYME SPECIFICITY; EVALUATION STUDY; HUMAN; METABOLISM; MULTIDRUG RESISTANCE; PROCEDURES;

BAYES THEOREM; COMPUTER SIMULATION; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; DRUG RESISTANCE, MULTIPLE; HUMANS; MODELS, CHEMICAL; P-GLYCOPROTEINS; SUBSTRATE SPECIFICITY;

EID: 84901740666     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp400450m     Document Type: Article

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