Search Result "structural descriptors"


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

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

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

Structural Protein Descriptors in 1-Dimension and their Sequence-Based Predictions

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 6 Year: 2011 Page: 470-489
Author(s): Lukasz Kurgan, Fatemeh Miri Disfani

Application of ‘HESH’ Descriptors for the Structure-Activity Relationships of Antimicrobial Peptides

Journal: Protein & Peptide Letters
Volume: 16 Issue: 2 Year: 2009 Page: 143-149
Author(s): Mao Shu, Yongjun Jiang, Li Yang, Yuqian Wu, Hu Mei, Zhiliang Li

Review Article

A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 3 Year: 2016 Page: 181-205
Author(s): Sagarika Sahoo,Chandana Adhikari,Minati Kuanar,Bijay K. Mishra

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

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 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

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

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