Literature DB >> 11277704

Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening.

J Bajorath1.   

Abstract

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Year:  2001        PMID： 11277704     DOI： 10.1021/ci0001482

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


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  27 in total

1.  Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries.

Authors:  Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2002 May-Jun       Impact factor: 3.686

Review 2.  Global analysis of large-scale chemical and biological experiments.

Authors:  David E Root; Brian P Kelley; Brent R Stockwell
Journal:  Curr Opin Drug Discov Devel       Date:  2002-05

Review 3.  Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries.

Authors:  Jürgen Bajorath
Journal:  Mol Divers       Date:  2002       Impact factor: 2.943

4.  The mycobacterial transcriptional regulator whiB7 gene links redox homeostasis and intrinsic antibiotic resistance.

Authors:  Ján Burian; Santiago Ramón-García; Gaye Sweet; Anaximandro Gómez-Velasco; Yossef Av-Gay; Charles J Thompson
Journal:  J Biol Chem       Date:  2011-11-08       Impact factor: 5.157

5.  A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist.

Authors:  Nidhi Singh; Gwénaël Chevé; David M Ferguson; Christopher R McCurdy
Journal:  J Comput Aided Mol Des       Date:  2006-09-29       Impact factor: 3.686

6.  A Java chemical structure editor supporting the Modular Chemical Descriptor Language (MCDL).

Authors:  Sergei V Trepalin; Alexander V Yarkov; Igor V Pletnev; Andrei A Gakh
Journal:  Molecules       Date:  2006-03-29       Impact factor: 4.411

Review 7.  Structural features of mammalian histidine decarboxylase reveal the basis for specific inhibition.

Authors:  A A Moya-García; A Pino-Angeles; R Gil-Redondo; A Morreale; F Sánchez-Jiménez
Journal:  Br J Pharmacol       Date:  2009-05       Impact factor: 8.739

Review 8.  Computational methods in drug discovery.

Authors:  Gregory Sliwoski; Sandeepkumar Kothiwale; Jens Meiler; Edward W Lowe
Journal:  Pharmacol Rev       Date:  2013-12-31       Impact factor: 25.468

9.  Distribution of randomly generated activity class characteristic substructures in diverse active and database compounds.

Authors:  José Batista; Jürgen Bajorath
Journal:  Mol Divers       Date:  2008-05-28       Impact factor: 2.943

Review 10.  Machine learning in chemoinformatics and drug discovery.

Authors:  Yu-Chen Lo; Stefano E Rensi; Wen Torng; Russ B Altman
Journal:  Drug Discov Today       Date:  2018-05-08       Impact factor: 7.851
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