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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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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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An: 140064913
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PubType: Academic Journal
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  Data: Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s10822-019-00253-5
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      – Code: eng
        Text: English
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        PageCount: 7
        StartPage: 965
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      – TitleFull: Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.
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            NameFull: Hinge, Vijaya Kumar
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            NameFull: Roy, Dipankar
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            NameFull: Kovalenko, Andriy
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              Text: Nov2019
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              Y: 2019
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              Value: 33
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              Value: 11
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