SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery

1 code implementation • 12 Nov 2019 • Shion Honda, Shoi Shi, Hiroki R. Ueda

Inspired by Transformer and pre-trained language models from natural language processing, SMILES Transformer learns molecular fingerprints through unsupervised pre-training of the sequence-to-sequence language model using a huge corpus of SMILES, a text representation system for molecules.

Drug Discovery Language Modelling +2