Application of Generative Autoencoder inDe NovoMolecular Design-Reference-Cited by-同舟云学术

Application of Generative Autoencoder inDe NovoMolecular Design

Published:2017-12-13 Issue:1-2 Volume:37 Page:1700123
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Blaschke Thomas¹²^ORCID,Olivecrona Marcus¹,Engkvist Ola¹,Bajorath Jürgen²,Chen Hongming¹

Affiliation:

1. Hit Discovery, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit; AstraZeneca R&D Gothenburg; 431 83 Mölndal Sweden

2. University of Bonn, Bonn Aachen International Center for Information Technology BIT, Life Science Informatics; Dahlmannstrasse 2 53113 Bonn Germany

Funder

European Union's Horizon 2020 research and innovation program

Publisher

Wiley

Subject

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

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201700123/fullpdf

Reference38 articles.

1. Deep Neural Nets as a Method for Quantitative Structure–Activity Relationships

2. Chemical Space Mimicry for Drug Discovery

3. Quantifying the chemical beauty of drugs

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