Developing an in silico pipeline for faster drug candidate discovery: Virtual high throughput screening with the Signature molecular descriptor using support vector machine models

Chemical Engineering Science

Volumn 159, Issue , 2017, Pages 31-42

  Chen, Jonathan Jun Feng ^a   Visco, Donald Patrick ^b  

^a UNIVERSITY OF AKRON   (United States)

^b University of Akron   (United States)

Author keywords

CAMD; Drug discovery; QSAR; Signature; Virtual high throughput screening

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTATIONAL CHEMISTRY; DIAGNOSIS; DIGITAL LIBRARIES; DRUG PRODUCTS; EFFICIENCY; LIBRARIES; LIGANDS; PIPELINES; SUPPORT VECTOR MACHINES;

CAMD; DRUG DISCOVERY; HIGH THROUGHPUT SCREENING; QSAR; SIGNATURE;

THROUGHPUT;

EID: 84960533123     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2016.02.037     Document Type: Article

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