Search Result "klopman index"


Research Article

4D-QSAR Studies Using a New Descriptor of the Klopman Index: Antibacterial Activities of Sulfone Derivatives Containing 1, 3, 4-Oxadiazole Moiety Based on MCET Model

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 3 Year: 2018 Page: 207-220
Author(s): Yahya Guzel,Ertugrul Aslan,Burcin Turkmenoglu,Ekrem Mesut Su

Use of Vertex Index in Structure-Activity Analysis and Design of Molecules

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 2 Year: 2012 Page: 128-134
Author(s): Chandan Raychaudhury,Debnath Pal

In Silico and Ex Silico ADME Approaches for Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1287-1304
Author(s): Ferenc Darvas, Gyorgy Keseru, Akos Papp, Gyorgy Dorman, Laszlo Urge, Peter Krajcsi

Modeling the Effect of Selected Cyclodextrins on Nifedipine Solubility

Journal: Current Drug Discovery Technologies
Volume: 8 Issue: 2 Year: 2011 Page: 146-154
Author(s): Snezana Agatonovic-Kustrin, David W. Morton, Matthew S. Worthington, Beverley D. Glass

Review Article

A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 3 Year: 2016 Page: 181-205
Author(s): Sagarika Sahoo,Chandana Adhikari,Minati Kuanar,Bijay K. Mishra

Assessment of the Health Effects of Chemicals in Humans: II. Construction of an Adverse Effects Database for QSAR Modeling

Journal: Current Drug Discovery Technologies
Volume: 1 Issue: 4 Year: 2004 Page: 243-254
Author(s): Edwin J. Matthews, Naomi L. Kruhlak, James L. Weaver, R. Daniel Benz, Joseph F. Contrera

The Topology of Molecule and Its Lipophilicity

Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 4 Year: 2006 Page: 369-403
Author(s): Vijay K. Agrawal, Jyoti Singh, Bruno Louis, Shobha Joshi, Ashok Joshi, Padmakar V. Khadikar

A New Group Contribution Approach to the Calculation of LogP

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 3-9
Author(s): Hao Zhu, Aleksander Sedykh, Suman K. Chakravarti, Gilles Klopman

Building a Chemical Space Based on Fragment Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 8 Year: 2008 Page: 661-668
Author(s): Igor Baskin, Alexandre Varnek

Review Article

On the Application of Conceptual Density Functional Theory to Atomic and Molecular Domain

Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 85-93
Author(s): Nazmul Islam

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