Search Result "Chemical descriptors"


Mapping Chemical Space Using Molecular Descriptors and Chemical Genetics: Deacetylase Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 7 Issue: 7 Year: 2004 Page: 669-676
Author(s): Stephen J. Haggarty, Paul A. Clemons, Jason C. Wong, Stuart L. Schreiber

Research Article

Molecular Descriptors of Some Chemicals that Prevent COVID-19

Journal: Current Organic Synthesis
Volume: 18 Issue: 0 Year: 2021 Page: 1-12
Author(s): Sourav Mondal,Nilanjan De,Anita Pal,Wei Gao

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

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

SVM Prediction of Ligand-binding Sites in Bacterial Lipoproteins Employing Shape and Physio-chemical Descriptors

Journal: Protein & Peptide Letters
Volume: 19 Issue: 1 Year: 2012 Page: 1155-1162
Author(s): Kiran Kadam, Prashant Prabhakar, V. K. Jayaraman

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

QSAR of Chalcones Utilizing Theoretical Molecular Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi, Manish C. Bagchi

Robust Quantitative Modeling of Peptide Binding Affinities for MHC Molecules Using Physical-Chemical Descriptors

Journal: Protein & Peptide Letters
Volume: 14 Issue: 9 Year: 2007 Page: 903-916
Author(s): Ovidiu Ivanciuc, Werner Braun

OCWLGI Descriptors: Theory and Praxis

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 226-232
Author(s): Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Giuseppina Gini

Development of Quantitative Structure-Activity Relationship for a Set of Carbonic Anhydrase Inhibitors: Use of Quantum and Chemical Descriptors

Journal: Letters in Drug Design & Discovery
Volume: 3 Issue: 9 Year: 2006 Page: 622-635
Author(s): Padmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal, Shalini Singh, Meenakshi Lakhwani

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