Search Result "Dose descriptors"


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

Research Article

Molecular Descriptors of Some Chemicals that Prevent COVID-19

Journal: Current Organic Synthesis
Volume: 18 Issue: 8 Year: 2021 Page: 729-741
Author(s): Sourav Mondal,Nilanjan De,Anita Pal,Wei Gao

Variable Subset Selection in the Presence of Flagged Observations and Multicollinear Descriptors in QSAR

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 2 Year: 2005 Page: 163-177
Author(s): Peter P. Mager, Luis Sanchez

Small Molecule Databases and Chemical Descriptors Useful in Chemoinformatics: An Overview

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 548-558
Author(s): Rafael Gozalbes, Antonio Pineda-Lucena

An Integrated Drug Development Approach Applying Topological Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 172-181
Author(s): Alan Talevi,Carolina L. Bellera,Mauricio Di Ianni,Pablo R. Duchowicz,Luis E. Bruno-Blanch,Eduardo A. Castro

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

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

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

Relevant Physicochemical Descriptors of “Soft Nanomedicines” to Bypass Biological Barriers

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 9 Year: 2016 Page: 1274-1291
Author(s): Amaya Nino-Pariente,Vicent J. Nebot,Maria J. Vicent

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