Activity Landscapes, Information Theory, and Structure - Activity Relationships-Reference-Cited by-同舟云学术

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Activity Landscapes, Information Theory, and Structure - Activity Relationships

Published:2013-02-27 Issue:5-6 Volume:32 Page:421-430
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Iyer Preeti,Stumpfe Dagmar,Vogt Martin,Bajorath J.,Maggiora G. M.

Funder

Sonderforschungsbereich 704

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201200120/fullpdf

Reference53 articles.

1. ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)

2. BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

3. PubChem Compound Database

4. Virtual compound screening in drug discovery

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2. ACGCN: Graph Convolutional Networks for Activity Cliff Prediction between Matched Molecular Pairs;Journal of Chemical Information and Modeling;2022-05-06

3. Is the reductionist paradox an Achilles Heel of drug discovery?;Journal of Computer-Aided Molecular Design;2022-05

4. The impact of chemoinformatics on drug discovery in the pharmaceutical industry;Expert Opinion on Drug Discovery;2020-01-22

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