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08/09/2021
ChemiRise: a data-driven retrosynthesis engine
We have developed an end-to-end, retrosynthesis system, named ChemiRise,...
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03/06/2021
Molecular modeling with machine-learned universal potential functions
Molecular modeling is an important topic in drug discovery. Decades of r...
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03/16/2018
Chemi-net: a graph convolutional network for accurate drug property prediction
Absorption, distribution, metabolism, and excretion (ADME) studies are c...
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07/26/2017