Search Result "QSAR modelling"


Systematic Generation of Chemical Structures for Rational Drug Design Based on QSAR Models

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 1 Year: 2011 Page: 1-9
Author(s): Kimito Funatsu, Tomoyuki Miyao, Masamoto Arakawa

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

Review of QSAR for DNA Polymerase Inhibitors and New Models for Heterogeneous Series of Compounds

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 4 Year: 2011 Page: 249-254
Author(s): Isela Garcia, Yagamare Fall, Generosa Gomez

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

Comparison of QSARs and Characterization of Structural Basis of Bioactivity Using Partial Order Theory and Formal Concept Analysis: A Case Study with Mutagenicity

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 109-121
Author(s): Guillermo Restrepo, Subhash C. Basak, Denise Mills

3D-QSAR of Novel Phosphodiesterase-4 Inhibitors by Genetic Function Approximation

Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 543-552
Author(s): Anand V. Raichurkar, Ujashkumar A. Shah, Vithal M. Kulkarni

Update of QSAR & Docking Studies of the GSK-3 Inhibitors

Journal: Current Bioinformatics
Volume: 6 Issue: 2 Year: 2011 Page: 215-232
Author(s): Isela Garcia, Yagamare Fall, Generosa Gomez

Review of Bioinformatics and QSAR Studies of β-Secretase Inhibitors

Journal: Current Bioinformatics
Volume: 6 Issue: 1 Year: 2011 Page: 3-15
Author(s): Francisco Prado-Prado, Manuel Escobar-Cubiella, Xerardo Garcia-Mera

Pesticides as Estrogen Disruptors: QSAR for Selective ERα and ERβ Binding of Pesticides

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 2 Year: 2011 Page: 85-92
Author(s): Snezana Agatonovic-Kustrin, Marliese Alexander, David W. Morton, Joseph V. Turner

How to Generate Reliable and Predictive CoMFA Models

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 6 Year: 2011 Page: 923-930
Author(s): Lei Zhang, Keng-Chang Tsai, Lupei Du, Hao Fang, Minyong Li, Wenfang Xu

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