170 citations
2 papers
cs.LG2019★ 170 cited
SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery
Shion Honda, Shoi Shi, Hiroki R. Ueda
In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (…
q-bio.MN2005★ 3 cited
Principles in the Evolution of Metabolic Networks
Hiroki R. Ueda, John B. Hogenesch
Understanding design principles of complex cellular organization is one of the major challenges in biology. Recent analysis of the large-scale cellular organization has revealed th…