Combinations of fragment descriptors for improved prediction of CYP2C19 inhibitors

Chemometrics and Intelligent Laboratory Systems

Volumn 130, Issue , 2014, Pages 109-114

  Chao, Li ^a,b   Mei, Hu ^a,b   Pan, Xianchao ^a   Tan, Wen ^a   Liu, Tengfei ^a   Yang, Li ^a,b  

^a CHONGQING UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Classification; CYP2C19; Fragment; Inhibitor; Support vector machine

Indexed keywords

CYTOCHROME P450 2C19 INHIBITOR; CYTOCHROME P450 INHIBITOR; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CONTROLLED STUDY; CORRELATION COEFFICIENT; HIGH THROUGHPUT SCREENING; HOLOGRAPHY; INTERMETHOD COMPARISON; KERNEL METHOD; PARTIAL LEAST SQUARES DISCRIMINANT ANALYSIS; PREDICTION; PRIORITY JOURNAL; SENSITIVITY AND SPECIFICITY; STATISTICAL ANALYSIS; SUPPORT VECTOR MACHINE;

EID: 84887774322     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2013.10.013     Document Type: Article

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