Search Result "Molecular Descriptors Calculation"

Research Article

MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 4 Year: 2020 Page: 305-317
Author(s): Paula Carracedo-Reboredo,Ramiro Corona,Mikel Martinez-Nunes,Carlos Fernandez-Lozano,Georgia Tsiliki,Haralambos Sarimveis,Eider Aranzamendi,Sonia Arrasate,Nuria Sotomayor,Esther Lete,Cristian Robert Munteanu,Humbert González-Díaz

Molecular Design and QSARs/QSPRs with Molecular Descriptors Family

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 195-205
Author(s): Sorana D. Bolboaca,Lorentz Jantschi,Mircea V. Diudea

Reliability of logP Predictions Based on Calculated Molecular Descriptors: A Critical Review

Journal: Current Medicinal Chemistry
Volume: 9 Issue: 2 Year: 2002 Page: 1819-1829
Author(s): D. Eros, I. Kovesdi, L. Orfi, K. Takacs-Novak, Gy. Acsady, Gy. Keri

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

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

Anti-Tubercular Drug Designing Using Structural Descriptors

Ebook: Advances in Mathematical Chemistry and Applications
Volume: 2 Year: 2015
Author(s): Manish C. Bagchi,Payel Ghosh
Doi: 10.2174/9781681080529115020012

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

Molecular Descriptors in Chemoinformatics, Computational Combinatorial Chemistry, and Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 3 Issue: 5 Year: 2000 Page: 363-372
Author(s): Ling Xue, Jurgen Bajorath

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

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

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