Search Result "molecular descriptors"


QSAR Modeling of Carcinogenic Risk Using Discriminant Analysis and Topological Molecular Descriptors

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 55-67
Author(s): Joseph F. Contrera, Philip MacLaughlin, Lowell H. Hall, Lemont B. Kier

Potency-Scaled Partitioning in Descriptor Spaces with Increasing Dimensionality

Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 797-803
Author(s): Jurgen Bajorath

Inductive Descriptors: 10 Successful Years in QSAR

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 21-42
Author(s): A. Cherkasov

Selection of Molecular Descriptors with Artificial Intelligence for the Understanding of HIV-1 Protease Peptidomimetic Inhibitors-activity

Journal: Medicinal Chemistry
Volume: 1 Issue: 2 Year: 2005 Page: 173-184
Author(s): S. Sirois, C. M. Tsoukas, Kuo-Chen Chou, Dongqing Wei, C. Boucher, G. E. Hatzakis

Variable Subset Selection in the Presence of Flagged Observations and Multicollinear Descriptors in QSAR

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 2 Year: 2005 Page: 163-177
Author(s): Peter P. Mager, Luis Sanchez

Predicting Dopamine Receptors Binding Affinity of N-[4-(4-Arylpiperazin- 1-yl) butyl]Aryl Carboxamides: Computational Approach Using Topological Descriptors

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 115-121
Author(s): Viney Lather, A. K. Madan

Novel Computational Approaches in QSAR and Molecular Design Based on GA, Multi-Way PLS and NN

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 2 Year: 2005 Page: 129-145
Author(s): Kiyoshi Hasegawa, Masamoto Arakawa, Kimito Funatsu

Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as Alternative Attractive Tool to Generate Ligand-Based 3D-QSARs

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 1 Year: 2005 Page: 13-21
Author(s): Stefano Moro, Magdalena Bacilieri, Cristina Ferrari, Giampiero Spalluto

“In Silico” Design of Potential Anti-HIV Actives Using Fragment Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 8 Issue: 5 Year: 2005 Page: 403-416
Author(s): A. Varnek, V. P. Solovev

Target-Related Affinity Profiling: Teliks Lead Discovery Technology

Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 4 Year: 2005 Page: 371-381
Author(s): Paul Beroza, Komath Damodaran, Robert T. Lum

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