Search Result "klopman index"
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
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
Conceptual Density Functional Theory of Chemical Reactivity
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781608059287114010013
Building a Chemical Space Based on Fragment Descriptors
Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Igor I. Baskin,Alexandre Varnek
Doi: 10.2174/9781608057450113010005
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