Search Result "QSPR"


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

General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1713-1741
Author(s): Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-SanJuan, Nuria Sotomayor, Esther Lete, Lina Besada-Porto, Juan M. Ruso

The Sum-Connectivity Index - An Additive Variant of the Randic Connectivity Index§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 184-194
Author(s): Bono Lucic,Ivan Sovic,Jadranko Batista,Karolj Skala,Dejan Plavsic,Drazen Vikic-Topic,Drago Beslo,Sonja Nikolic,Nenad Trinajstic

Editorial (Hot Topic: Bioinformatics and Quantitative Structure-Property Relationship (QSPR) Models)

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 387-389
Author(s):

Markov-Randi c Indices for QSPR Re-Evaluation of Metabolic, Parasite- Host, Fasciolosis Spreading, Brain Cortex and Legal-Social Complex Networks

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 401-415
Author(s): Pablo Riera-Fernandez, Cristian R. Munteanu, Raquel Martin-Romalde, Aliuska Duardo-Sanchez, Humberto Gonzalez-Diaz

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

Chemical Graphs, Molecular Matrices and Topological Indices in Chemoinformatics and Quantitative Structure-Activity Relationships§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 153-163
Author(s): Ovidiu Ivanciuc

Shannon’s, Mutual, Conditional and Joint Entropy Information Indices: Generalization of Global Indices Defined from Local Vertex Invariants

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 164-183
Author(s): Stephen J. Barigye,Yovani Marrero-Ponce,Oscar Martinez Santiago,Yoan Martinez Lopez,Facundo Perez-Gimenez,Francisco Torrens

Pharmacokinetic Properties and In Silico ADME Modeling in Drug Discovery

Journal: Medicinal Chemistry
Volume: 9 Issue: 2 Year: 2013 Page: 163-176
Author(s): Kathia M. Honorio,Tiago L. Moda,Adriano D. Andricopulo

MIANN Models in Medicinal, Physical and Organic Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 5 Year: 2013 Page: 619-641
Author(s): Humberto Gonzalez-Diaz, Sonia Arrasate, Nuria Sotomayor, Esther Lete, Cristian R. Munteanu, Alejandro Pazos, Lina Besada-Porto, Juan M. Ruso

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