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Direct steering of de novo molecular generation with desc... | ResearchHub
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Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks
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Authors
Panagiotis-Christos Kotsias
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Panagiotis-Christos Kotsias
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Josep Arús‐Pous
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•
Esben Bjerrum
Published
May 18, 2020
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Journal
Nature Machine Intelligence
Topics
Computer Science
Machine Learning
Physics
Artificial Intelligence
Optics
Show all topics
DOI
10.1038/s42256-020-0174-5
