Search Result "tanimoto similarity indices"

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

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

Towards the Chemoinformatic-Based Identification of DNA Methyltransferase Inhibitors: 2D- and 3D-Similarity Profile of Screening Libraries

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 4 Year: 2012 Page: 317-329
Author(s): Jakyung Yoo, Jose Luis Medina-Franco

How to Measure the Similarity Between Protein Ligand-Binding Sites?

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 209-220
Author(s): Esther Kellenberger, Claire Schalon, Didier Rognan

QSAR, Complex Networks, Principal Components and Partial Order Analysis of Drug Cardiotoxicity with Proteome Mass- Spectra Topological Indices

Ebook: Young People’s Visions of the World
Volume: 1 Year: 2010
Author(s): Cristian R. Munteanu,Maykel Cruz-Monteagudo,Fernanda Borges,M. Natália D. S. Cordeiro,Ricardo Concu,Humberto González-Díaz

Research Article

Charting the Bromodomain BRD4: Towards the Identification of Novel Inhibitors with Molecular Similarity and Receptor Mapping

Journal: Letters in Drug Design & Discovery
Volume: 15 Issue: 9 Year: 2018 Page: 1002-1011
Author(s): Fernando D. Prieto-Martinez,Jose L. Medina-Franco

Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 227-234
Author(s): Jahan B. Ghasemi, Fereshteh Shiri, Somayeh Pirhadi, Zahra Heidari

Design, Synthesis, Pharmacological Evaluation and Descriptor Based Similarities Study of N,N-diphenyl-2-[4-(substituted phenyl)piperazin-1- yl]acetamides as Potential Antipsychotics

Journal: Medicinal Chemistry
Volume: 8 Issue: 6 Year: 2012 Page: 1069-1075
Author(s): Radha Charan Dash, Sharad H. Bhosale, Suhas M. Shelke, Mugdha R. Suryawanshi, Kakasaheb R. Mahadik

Review Article

Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources

Journal: Current Drug Targets
Volume: 17 Issue: 1 Year: 2016 Page: 1580-1585
Author(s): Xin Yan, Chenzhong Liao, Zhihong Liu, Arnold T. Hagler, Qiong Gu, Jun Xu

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