Search Result "Prediction oriented QSAR"


Prediction Oriented QSAR Modelling of EGFR Inhibition

Journal: Current Medicinal Chemistry
Volume: 13 Issue: 3 Year: 2006 Page: 277-287
Author(s): C. Szantai-Kis, I. Kovesdi, D. Eros, P. Banhegyi, A. Ullrich, G. Keri, L. Orfi

QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 573-582
Author(s): R. C. Braga,C. H. Andrade

Flow Network QSAR for the Prediction of Physicochemical Properties by Mapping an Electrical Resistance Network onto a Chemical Reaction Poset§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 233-240
Author(s): Ovidiu Ivanciuc,Teodora Ivanciuc,Douglas J. Klein

On Various Metrics Used for Validation of Predictive QSAR Models with Applications in Virtual Screening and Focused Library Design

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 450-474
Author(s): Kunal Roy, Indrani Mitra

Evolutionary Computation and QSAR Research

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 206-225
Author(s): Vanessa Aguiar-Pulido,Marcos Gestal,Maykel Cruz-Monteagudo,Juan R. Rabunal,Julian Dorado,Cristian R. Munteanu

Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 151-163
Author(s): Pramod C. Nair

Pharmacophore Modeling and QSAR Analysis of Novel β-carboline Derivatives as Antitumor Agents

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 7 Year: 2013 Page: 572-584
Author(s): Ravindra Kumar Chourasiya,A. Raghuram Rao,Ram Kishore Agrawal

Research Article

Integrating Multiple Receptor Conformation Docking and Multi Dimensional QSAR for Enhancing Accuracy of Binding Affinity Prediction

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 2 Year: 2017 Page: 127-142
Author(s): Vangala Radhika,Hassan A. Jaraf,Sivan S. Kanth,Manga Vijjulatha

3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 148-159
Author(s): Cleber Camilo Melo-Filho,Rodolpho Campos Braga,Carolina Horta Andrade

QSAR in the Pharmaceutical Research Setting: QSAR Models for Broad, Large Problems

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 619-637
Author(s): D.G. Sprous, R.K. Palmer, J. T. Swanson, M. Lawless

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