Search Result "topochemical descriptors"

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

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

Exploring QSARs with Extended Topochemical Atom (ETA) Indices for Modeling Chemical and Drug Toxicity

Journal: Current Pharmaceutical Design
Volume: 16 Issue: 2 Year: 2010 Page: 2625-2639
Author(s): Kunal Roy, Gopinath Ghosh

Detour Cum Distance Matrix Based Topological Descriptors for QSAR/QSPR Part-I: Development and Evaluation

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 7 Year: 2014 Page: 844-863
Author(s): Monika Gupta, Harish Jangra, Prasad V. Bharatam, Anil K. Madan

QSAR Studies on HIV-1 Protease Inhibitors Using Non-Linearly Transformed Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 1 Year: 2012 Page: 10-49
Author(s): Nallusamy Saranya, Samuel Selvaraj

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

The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1333-1356
Author(s): Alan R. Katritzky, Dan C. Fara, Ruslan O. Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, Mati Karelson

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

A Survey of Quantitative Descriptions of Molecular Structure

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 1946-1956
Author(s): Rajarshi Guha,Egon Willighagen

Detour Cum Distance Matrix Based Topological Descriptors for QSAR/QSPR Part-II: Application in Drug Discovery Process

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 7 Year: 2014 Page: 864-876
Author(s): Monika Gupta, Anil K. Madan

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