December 28, 2017Open Access

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

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Abstract

drug design cycle to generate large sets of novel molecules for drug discovery.

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Authors

Marwin Segler

Microsoft (Netherlands)

Thierry Kogej

AstraZeneca (Singapore)

Christian Tyrchan

Discovery Centre

Journals

ACS Central Science

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Institutions

University of Münster

Shanghai University

AstraZeneca (Sweden)

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Segler et al. (Thu,) studied this question.

synapsesocial.com/papers/69fe09cfff03502198270cee — DOI: https://doi.org/10.1021/acscentsci.7b00512

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Also consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

XGBoost· 2016 · 48,033 citations
Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles· 2016 · 105 citations
Long Short-Term Memory· 1997 · 97,540 citations
Visualizing Data using t-SNE· 2008 · 35,730 citations
Molecular design. Concepts and applications· 2009 · 81 citations

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

Key Points

Abstract

Citation Network

Connected Papers

Discussion

Authors

Journals

Actions

Institutions

References and Citations

Citation Network

Connected Papers

Discussion

Cite this study

Also consider

Also consider