Search Result "structural descriptors"


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

QSAR Studies on HIV-1 Protease Inhibitors Using Non-Linearly Transformed Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 1 Year: 2012 Page: 10-49
Author(s): Nallusamy Saranya, Samuel Selvaraj

SVM Prediction of Ligand-binding Sites in Bacterial Lipoproteins Employing Shape and Physio-chemical Descriptors

Journal: Protein & Peptide Letters
Volume: 19 Issue: 11 Year: 2012 Page: 1155-1162
Author(s): Kiran Kadam,Prashant Prabhakar,V. K. Jayaraman

An Integrated Drug Development Approach Applying Topological Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 172-181
Author(s): Alan Talevi,Carolina L. Bellera,Mauricio Di Ianni,Pablo R. Duchowicz,Luis E. Bruno-Blanch,Eduardo A. Castro

The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 811-825
Author(s): Hemant Kumar Srivastava,Chinmayee Choudhury,G. Narahari Sastry

Evaluation of the Pharmacological Descriptors Related to the Induction of Antidepressant Activity and its Prediction by QSAR/QRAR Methods

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 467-476
Author(s): S. Avram,C. Buiu,D. Duda-Seiman,C. Duda-Seiman,F. Borcan,D. Mihailescu

Use of Vertex Index in Structure-Activity Analysis and Design of Molecules

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 2 Year: 2012 Page: 128-134
Author(s): Chandan Raychaudhury,Debnath Pal

The Applicability of Molecular Descriptors for Designing an Electrospray Ionization Mass Spectrometry Compatible Library for Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 1 Year: 2012 Page: 806-815
Author(s): Jennifer C. Copeland, Levi J. Zehr, Ronald L. Cerny, Robert Powers

Structure-Activity Relationships of Pyrrole Hydrazones as New Anti-Tuberculosis Agents

Journal: Medicinal Chemistry
Volume: 8 Issue: 3 Year: 2012 Page: 462-473
Author(s): Iglika Lessigiarska,Ilza Pajeva,Penka Prodanova,Maya Georgieva,Atanas Bijev

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