1 code implementation • 21 Mar 2023 • Hyunseung Kim, Haeyeon Choi, Dongju Kang, Won Bo Lee, Jonggeol Na
In an experiment aimed at discovering molecules that hit seven extreme target properties, our model discovered 1, 315 of all target-hitting molecules and 7, 629 of five target-hitting molecules out of 100, 000 trials, whereas the probability distribution-learning models failed.