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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

Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 254-271
Author(s): Irene Luque Ruiz,Gonzalo Cerruela Garcia,Miguel Angel Gomez-Nieto

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

Predicting Drug-Target Interactions of Nuclear Receptors Based on Molecular Descriptors Information

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 10 Year: 2013 Page: 989-994
Author(s): Junxiang Wang,Weiming Yu,Zhibin Chen,Hengda Li,Zhenran Jiang

Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 449-462
Author(s): Subhash C. Basak

Multi-Target Inhibitors for Proteins Associated with Alzheimer: In Silico Discovery using Fragment-Based Descriptors

Journal: Current Alzheimer Research
Volume: 10 Issue: 2 Year: 2013 Page: 117-124
Author(s): Alejandro Speck-Planche,Valeria V. Kleandrova,Feng Luan,M. Natalia D. S. Cordeiro

Protonation States and Conformational Ensemble in Ligand-based QSAR Modeling

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4323-4329
Author(s): Pier G. De Benedetti

Modeling of LIM-Kinase 2 Inhibitory Activity of Pyrrolopyrimidine Analogues: Useful in Treatment of Ocular Hypertension and Glaucoma

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 402-409
Author(s): Gagandip Singh,Manish K. Gupta,Viney Kumar,Yenamandra S. Prabhakar

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

QSAR: An In Silico Approach for Predicting the Partitioning of Pesticides into Breast Milk

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 3 Year: 2013 Page: 223-232
Author(s): Suezana Agatonovic-Kustrin,David W. Morton,D. Celebic

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