Search Result "molecular substructure analysis"

Substructural Analysis in Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 1 Year: 2007 Page: 59-67
Author(s): Hugo O. Villar, Mark R. Hansen, Richard Kho

Random Molecular Fragment Methods in Computational Medicinal Chemistry

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 2 Year: 2008 Page: 2108-2121
Author(s): Eugen Lounkine, Jose Batista, Jurgen Bajorath

Review Article

Mechanism-Based Inhibitors from Phytomedicine: Risks of Hepatotoxicity and their Potential Hepatotoxic Substructures

Journal: Current Drug Metabolism
Volume: 17 Issue: 10 Year: 2016 Page: 971-991
Author(s): Lili Wang,Xin He,Chunhuan Jin,Gregory Ondieki

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

Research Article

Exploring the Chemical Space of P-Glycoprotein Interacting Compounds

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1332-1345
Author(s): Veda Prachayasittikul,Prasit Mandi,Supaluk Prachayasittikul,Virapong Prachayasittikul,Chanin Nantasenamat

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

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

MOLGEN 5.0, A Molecular Structure Generator

Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Ralf Gugisch,Adalbert Kerber,Axel Kohnert,Reinhard Laue,Markus Meringer,Christoph Rücker,Alfred Wassermann
Doi: 10.2174/9781608059287114010010

Review Article

VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 38 Year: 2020 Page: 6480-6494
Author(s): José-Manuel Gally,Stéphane Bourg,Jade Fogha,Quoc-Tuan Do,Samia Aci-Sèche,Pascal Bonnet

The WWW as a Tool to Obtain Molecular Parameters

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 8 Year: 2003 Page: 809-820
Author(s): Igor V. Tetko

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