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Quantitative Structure-Activity Relationships for Anticancer Activity of 2- Phenylindoles Using Mathematical Molecular Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 98-108
Author(s): Subhash C. Basak, Qianhong Zhu, Denise Mills

Small Molecule Databases and Chemical Descriptors Useful in Chemoinformatics: An Overview

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 548-558
Author(s): Rafael Gozalbes, Antonio Pineda-Lucena

Molecular Surface Representation Using 3D Zernike Descriptors for Protein Shape Comparison and Docking

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 6 Year: 2011 Page: 520-530
Author(s): Daisuke Kihara, Lee Sael, Rayan Chikhi, Juan Esquivel-Rodriguez

Receptor-Based Pharmacophore and Pharmacophore Key Descriptors for Virtual Screening and QSAR Modeling

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 181-189
Author(s): Xialan Dong, Jerry O. Ebalunode, Sheng-Yong Yang, Weifan Zheng

On Molecular Graph Comparison

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 83-89
Author(s): Jenny A. Melo, Edgar Daza

QSAR Analysis of Isosteviol Derivatives as α-Glucosidase Inhibitors with Element Count and Other Descriptors

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 1 Year: 2011 Page: 14-25
Author(s): N. S. Hari Narayana Moorthy, Maria J. Ramos, Pedro A. Fernandes

Understanding the Diels-Alder Reactivity of Superelectrophilic Nitrobenzofuroxans and Related 10π-Heteroaromatics through DFT-Based Electrophilicity Descriptors

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 108-118
Author(s): Sami Lakhdar, Guillaume Berionni, Regis Goumont, Francois Terrier

QSAR Study on 5-Lipoxygenase Activating Protein (FLAP) Inhibitors: The Derivatives of 2,2-Bisaryl-Bicycloheptane

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 1 Year: 2011 Page: 32-43
Author(s): Brij Kishore Sharma, Pradeep Pilania, Prithvi Singh

Analysis of the α-Glucosidase Inhibitory Activity of Chromenone Derivatives Based on their Molecular Features: A Computational Study

Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 526-533
Author(s): N. S. Hari Narayana Moorthy, Maria J. Ramos, Pedro A. Fernandes

Chemistry Explained by Topology: An Alternative Approach

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 4 Year: 2011 Page: 279-283
Author(s):

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