Search Result "Chemical descriptors"


Inductive Descriptors: 10 Successful Years in QSAR

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 21-42
Author(s): A. Cherkasov

A QSAR Study of HIV Protease Inhibitors Using Theoretical Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 269-282
Author(s): Subhash C. Basak, Denise Mills, Rajni Garg, Barun Bhhatarai

Development of Quantitative Structure-Activity Relationship for a Set of Carbonic Anhydrase Inhibitors: Use of Quantum and Chemical Descriptors

Journal: Letters in Drug Design & Discovery
Volume: 3 Issue: 9 Year: 2006 Page: 622-635
Author(s): Padmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal, Shalini Singh, Meenakshi Lakhwani

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

Integrative Approaches for Predicting In Vivo Effects of Chemicals from their Structural Descriptors and the Results of Short-Term Biological Assays

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1356-1364
Author(s): Yen Sia Low,Alexander Yeugenyevich Sedykh,Ivan Rusyn,Alexander Tropsha

Identification of the Descriptor Pharmacophores Using Variable Selection QSAR Applications to Database Mining

Journal: Current Pharmaceutical Design
Volume: 7 Issue: 7 Year: 2001 Page: 599-612
Author(s): Alexander Tropsha, Zheng Weifan

Molecular Descriptors in Chemoinformatics, Computational Combinatorial Chemistry, and Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 3 Issue: 5 Year: 2000 Page: 363-372
Author(s): Ling Xue, Jurgen Bajorath

Variable Subset Selection in the Presence of Flagged Observations and Multicollinear Descriptors in QSAR

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 2 Year: 2005 Page: 163-177
Author(s): Peter P. Mager, Luis Sanchez

Edge-Wiener Descriptors in Chemical Graph Theory: A Survey

Journal: Current Organic Chemistry
Volume: 19 Issue: 3 Year: 2015 Page: 219-239
Author(s): Ali Iranmanesh, Mahdieh Azari

Selection, Application, and Validation of a Set of Molecular Descriptors for Nuclear Receptor Ligands

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 7 Issue: 5 Year: 2004 Page: 407-412
Author(s): Eugene L. Stewart, Peter J. Brown, James A. Bentley, Timothy M. Willson

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