1 citations · 1 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2021
ChemiRise: a data-driven retrosynthesis engine
Xiangyan Sun, Ke Liu, Yuquan Lin +9
We have developed an end-to-end, retrosynthesis system, named ChemiRise, that can propose complete retrosynthesis routes for organic compounds rapidly and reliably. The system was…
q-bio.QM2021★ 1 cited
Molecular modeling with machine-learned universal potential functions
Ke Liu, Zekun Ni, Zhenyu Zhou +7
Molecular modeling is an important topic in drug discovery. Decades of research have led to the development of high quality scalable molecular force fields. In this paper, we show…
cs.LG2018
Chemi-net: a graph convolutional network for accurate drug property prediction
Ke Liu, Xiangyan Sun, Lei Jia +7
Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions,…