Search Result "topological descriptors"


Topological Polar Surface Area: A Useful Descriptor in 2D-QSAR

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 1 Year: 2009 Page: 21-41
Author(s): S. Prasanna, R. J. Doerksen

How Can We Explain the Stability of Conjugated Hydrocarbon- and Heterosubstituted Networks by Topological Descriptors?

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 225-234
Author(s): Haruo Hosoya

Introduction to Molecular Topology: Basic Concepts and Application to Drug Design

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 196-223
Author(s): Jorge Galvez,Maria Galvez-Llompart,Ramon Garcia-Domenech

Use of Physicochemical and Topological Parameters in Estimating Anti-Cancer Activity of Benzothiazole Derivatives

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 9 Year: 2011 Page: 850-856
Author(s): Deepali Gupta, Basheerulla Shaik, Jyoti Singh, Neelu Singh, Vijay K. Agrawal

Detour Cum Distance Matrix Based Topological Descriptors for QSAR/QSPR Part-I: Development and Evaluation

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 7 Year: 2014 Page: 844-863
Author(s): Monika Gupta, Harish Jangra, Prasad V. Bharatam, Anil K. Madan

On the Contribution of Molecular Topology to Drug Design and Discovery

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 252-268
Author(s): Jorge Galvez, Ramon Garcia-Domenech

Molecular Design and QSARs/QSPRs with Molecular Descriptors Family

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 195-205
Author(s): Sorana D. Bolboaca,Lorentz Jantschi,Mircea V. Diudea

Applications of 2D Descriptors in Drug Design: A DRAGON Tale

Journal: Current Topics in Medicinal Chemistry
Volume: 8 Issue: 1 Year: 2008 Page: 1628-1655
Author(s): Aliuska Morales Helguera, Robert D. Combes, Maykel Perez Gonzalez, M. Natalia D.S. Cordeiro

OCWLGI Descriptors: Theory and Praxis

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 226-232
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Giuseppina Gini

Exploring the stability of dimers through protein structure topology

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 1 Year: 2016 Page: 30-36
Author(s): Luisa Di Paola,Giampiero Mei,Almerinda Di Venere,Alessandro Giuliani

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