Search Result "molecular descriptors"


Analysis of A Drug Target-based Classification System using Molecular Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 2 Year: 2016 Page: 129-135
Author(s): Jing Lu,Pin Zhang,Yi Bi,Xiaomin Luo

QSAR Modeling of Carcinogenic Risk Using Discriminant Analysis and Topological Molecular Descriptors

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 55-67
Author(s): Joseph F. Contrera, Philip MacLaughlin, Lowell H. Hall, Lemont B. Kier

Chemometric Evaluation of the Significance of Molecular Structural Descriptors on Binding of Acridinone Derivatives to DNA

Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 7 Year: 2010 Page: 494-499
Author(s): Marcin Koba, Tomasz Baczek

Prediction of Drug Induced Liver Injury Using Molecular and Biological Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 3 Year: 2015 Page: 315-322
Author(s): Christophe Muller,Dumrongsak Pekthong,Eliane Alexandre,Gilles Marcou,Dragos Horvath,Lysiane Richert,Alexandre Varnek

How the Parts Organize in the Whole? A Top-Down View of Molecular Descriptors and Properties for QSAR and Drug Design

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 8 Issue: 3 Year: 2008 Page: 213-221
Author(s): Ernesto Estrada

Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors

Ebook: Young People’s Visions of the World

Volume: 1 Year: 2010
Author(s): M. Natália D.S. Cordeiro,Fernanda Borges,Aliuska Morales Helguera
Doi: 10.2174/97816080537971120101

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

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

Multivariate QSAR: From Classical Descriptors to New Perspectives

Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 4 Year: 2007 Page: 235-239
Author(s): Matheus P. Freitas

Research Article

QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 1 Year: 2020 Page: 6-16
Author(s): Daryoush Joudaki,Fatemeh Shafiei

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