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Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(2)

Published Date

Over 3 years

(2)

Keywords

3D similarity

Authors

2 results in Keywords: 3D similarity

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

788

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Theoretical and Computational Chemistry

Identification and Analysis of Activity Cliffs Using 3D Similarity Techniques

Mark Mackey, Timothy J. Cheeseright, Paolo Tosco

Version 1 posted 21 September 2020

572

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