Search Result "structural descriptors"


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

A QSAR Study of HIV Protease Inhibitors Using Theoretical Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 269-282
Author(s): Subhash C. Basak, Denise Mills, Rajni Garg, Barun Bhhatarai

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
Doi: 10.2174/97816080537971120101

Influence of HPLC Retention Data and Molecular Modeling Descriptors on Prediction of Pharmacological Classification of Drugs Using Principal Component Analysis Method

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 9 Year: 2010 Page: 765-776
Author(s): Marcin Koba, Leszek Bober, Urszula Judycka-Proma, Tomasz Baczek

Sequence-Based Prediction of Protein-Protein Interactions by Means of Rotation Forest and Autocorrelation Descriptor

Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 137-145
Author(s): Jun-Feng Xia, Kyungsook Han, De-Shuang Huang

How Can We Explain the Stability of Conjugated Hydrocarbon- and Heterosubstituted Networks by Topological Descriptors?

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 225-234
Author(s): Haruo Hosoya

Use of Mathematical Structural Invariants in Analyzing Combinatorial Libraries: A Case Study with Psoralen Derivatives

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 240-251
Author(s): Subhash C. Basak, Denise Mills, Brian D. Gute, Alexandru T. Balaban, Kanika Basak, Gregory D. Grunwald

Quantitative Structure Activity Relationship: History, Development and Applications

Ebook: Young People’s Visions of the World

Volume: 1 Year: 2010
Author(s): Medhat Ibrahim,Noha A. Saleh,Wael M. Elshemey
Doi: 10.2174/97816080537971120101

Quantitative Structure Activity Relationship Modeling of Environmentally Important Diphenyl Ether Herbicides Using MLR and PLS

Journal: Current Analytical Chemistry
Volume: 6 Issue: 1 Year: 2010 Page: 3-10
Author(s): A. Rouhollahi, J. B. Ghasemi, E. Babaee

Evaluation of the Pharmacological Descriptors Related to the Induction of Antimicrobial Activity by Using QSAR and Computational Mutagenesis

Ebook: Young People’s Visions of the World

Volume: 1 Year: 2010
Author(s): Speranta Avram,Catalin Buiu,Corina Duda-Seiman,Florin Borcan,Daniel Duda-Seiman,Dan Mihailescu
Doi: 10.2174/97816080537971120101

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