Search Result "comparative molecular similarity analysis"


Molecular Similarity and Property Similarity

Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 6 Year: 2004 Page: 589-600
Author(s): Frederique Barbosa, Dragos Horvath

Advanced Fingerprint Methods for Similarity Searching: Balancing Molecular Complexity Effects

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 3 Year: 2010 Page: 220-228
Author(s): Yuan Wang, Jurgen Bajorath

Interaction Models of a Series of Oxadiazole-Substituted α-Isopropoxy Phenylpropanoic Acids Against PPARα and PPARγ: Molecular Modeling and Comparative Molecular Similarity Indices Analysis Studies

Journal: Protein & Peptide Letters
Volume: 16 Issue: 2 Year: 2009 Page: 150-162
Author(s): Feng Cheng, Jianhua Shen, Xiaoying Xu, Xiaomin Luo, Kaixian Chen, Xu Shen, Hualiang Jiang

On Molecular Graph Comparison

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 83-89
Author(s): Jenny A. Melo, Edgar Daza

Analysis of Protein Surface Patterns by Pocket Similarity Network

Journal: Protein & Peptide Letters
Volume: 15 Issue: 5 Year: 2008 Page: 448-455
Author(s): Zhi-Ping Liu, Ling-Yun Wu, Yong Wang, Xiang-Sun Zhang, Luonan Chen

Comparative Molecular Surface Analysis (CoMSA) for Virtual Combinatorial Library Screening of Styrylquinoline HIV-1 Blocking Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 1 Year: 2006 Page: 753-770
Author(s): Halina Niedbala, Jaroslaw Polanski, Rafal Gieleciak, Robert Musiol, Dominik Tabak, Barbara Podeszwa, Andrzej Bak, Anna Palka, Jean-Francois Mouscadet, Johann Gasteiger, Marc Le Bret

Grouping of Coefficients for the Calculation of Inter-Molecular Similarity and Dissimilarity using 2D Fragment Bit-Strings

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 5 Issue: 2 Year: 2002 Page: 155-166
Author(s): J. D. Holliday, C-Y Hu, P. Willett

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

High Content Pharmacophores from Molecular Fields: A Biologically Relevant Method for Comparing and Understanding Ligands

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 190-205
Author(s): Timothy J. Cheeseright, Mark D. Mackey, Robert A. Scoffin

Structure and Comparative Analysis of the Bovine Prion Gene Locus

Journal: Current Genomics
Volume: 1 Issue: 4 Year: 2000 Page: 313-321
Author(s): S. Comincini, B. Castiglioni, I. Del Vecchio, M.G. Foti, L. Ferretti

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