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ChemoDOTS post-processing test case

Published in Zenodo (CERN European Organization for Nuclear Research) • Feb 25, 2024
NobleIDNI2P89W61R85S28
Authors:
Laurent Hoffer
,
Guillaume Charifi-Hoareau
,
Sarah Barelier

Abstract

This archive corresponds to a retrospective test case associated with the ChemoDOTS server (https://chemodots.marseille.inserm.fr/). It shows that optimized compounds identify during the hit-to-optimization of Bromodomain inhibitors can be easily generated starting from a functionalized fragment. St...

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