2 papers
q-bio.BM2022
Bayesian Sequential Stacking Algorithm for Concurrently Designing Molecules and Synthetic Reaction Networks
Qi Zhang, Chang Liu, Stephen Wu +1
In the last few years, de novo molecular design using machine learning has made great technical progress but its practical deployment has not been as successful. This is mostly owi…
stat.ML2019
Recreation of the Periodic Table with an Unsupervised Machine Learning Algorithm
Minoru Kusaba, Chang Liu, Yukinori Koyama +2
In 1869, the first draft of the periodic table was published by Russian chemist Dmitri Mendeleev. In terms of data science, his achievement can be viewed as a successful example of…