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Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.

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Bibliographic Details
Title: Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.
Authors: Hinge, Vijaya Kumar1, Roy, Dipankar1, Kovalenko, Andriy1,2, andriy.kovalenko@ualberta.ca
Source: Journal of Computer-Aided Molecular Design; Nov2019, Vol. 33 Issue 11, p965-971, 7p
Database: Applied Science & Technology Source
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Description
ISSN:0920654X
DOI:10.1007/s10822-019-00253-5