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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Kathryn A. Giblin

2 results in Authors: Kathryn A. Giblin

Biological and Medicinal Chemistry

De Novo Design with Deep Generative Models Based on 3D Similarity Scoring

Kostas Papadopoulos, Kathryn A. Giblin, Jon Paul Janet, Atanas Patronov, Ola Engkvist

Version 1 posted 12 May 2021

823

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Theoretical and Computational Chemistry

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

Version 1 posted 04 August 2021

909

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