BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry-Reference-Cited by-同舟云学术

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

Published:2016-07-28 Issue:11-12 Volume:35 Page:615-621
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Tetko Igor V.¹²,Engkvist Ola³,Koch Uwe⁴,Reymond Jean-Louis⁵,Chen Hongming³

Affiliation:

1. Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH); Institute of Structural Biology; Ingolstädter Landstraße 1, b. 60w D-85764 Neuherberg Germany

2. BIGCHEM GmbH; Ingolstädter Landstraße 1, b. 60w D-85764 Neuherberg Germany

3. Discovery Sciences; AstraZeneca R&D Gothenburg; Pepparedsleden 1 Mölndal SE-43183 Sweden

4. Lead Discovery Center GmbH; Otto-Hahn Strasse 15 Dortmund 44227 Germany

5. Department of Chemistry and Biochemistry; University of Bern; Freiestrasse 3 3012 Bern Switzerland

Funder

European Union's Horizon 2020

BIGCHEM

BigChem GmbH

Publisher

Wiley

Subject

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

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201600073/fullpdf

Reference83 articles.

1. https://en.wikipedia.org/wiki/Big_data

2. Leveraging big data to transform target selection and drug discovery

3. PubChem Substance and Compound databases

4. Activity, assay and target data curation and quality in the ChEMBL database

5. The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS

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