47 citations · 48 across the 3 of their papers we have counts for
3 papers
Omics-scale polymer computational database transferable to real-world artificial intelligence applications
Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya +103
Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such a…
Data-Driven Design of a New Organic Semiconductor via an Electronic Structure Chart
Daniel M. Packwood, Yu Kaneko, Daiji Ikeda +1
Data-driven methodologies for designing new materials are developing apace, yet advances for organic crystals have been infrequent. For organic crystals, the need to predict solid-…
A Bayesian algorithm for retrosynthesis
Zhongliang Guo, Stephen Wu, Mitsuru Ohno +1
The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limit…