Machine learning and traditional QSAR modeling methods: a case study of known PXR activators-Reference-Cited by-同舟云学术

Machine learning and traditional QSAR modeling methods: a case study of known PXR activators

Published:2023-04-14 Issue:2 Volume:42 Page:903-917
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Neal William M.¹,Pandey Pankaj²,Khan Shabana I.¹²,Khan Ikhlas A.¹²,Chittiboyina Amar G.²

Affiliation:

1. Division of Pharmacognosy, Department of BioMolecular Sciences, School of Pharmacy, The University of Mississippi, University, MS, USA

2. National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, University, MS, USA

Funder

Food and Drug Administration

United States Department of Agriculture, Discovery & Development of Natural Products for Pharmaceutical & Agricultural Applications

US National Institute of General Medical Sciences of the National Institutes of Health

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2196701

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4. Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model Visualization

5. DeepAutoQSAR. Accessed April 2023. https://www.schrodinger.com/science-articles/autoqsardeepchem

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