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Open AccessExtended Abstract

www.3d-qsar.com: A Portal to Build 3-D QSAR Models

Department of Drug Chemistry and Technology, Sapienza, University of Rome, 00185 Rome, Italy
Presented at the 2nd Molecules Medicinal Chemistry Symposium (MMCS): Facing Novel Challenges in Drug Discovery, Barcelona, Spain, 15–17 May 2019.
Proceedings 2019, 22(1), 76; https://doi.org/10.3390/proceedings2019022076
Published: 15 August 2019
(This article belongs to the Proceedings of The Molecules Medicinal Chemistry Symposium)
PDF [399 KB, uploaded 15 August 2019]
Note: In lieu of an abstract, this is an excerpt from the first page.

Excerpt

The underlying idea of any field-based 3-D QSAR is that differences in a target propriety, e.g.,
biological activity, are often closely related to equivalent changes in shapes and intensities of
noncovalent calculated interaction surrounding the molecules [...]
Keywords: CoMFA; 3-D QSAR; Ligand-Based Drug Design CoMFA; 3-D QSAR; Ligand-Based Drug Design
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Ragno, R. www.3d-qsar.com: A Portal to Build 3-D QSAR Models. Proceedings 2019, 22, 76.

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