NLP and graph-based approaches for chemistry and molecule design. Working on ChemBERTa: A collection of BERT-like models applied to chemical SMILES data for drug design, chemical modelling, and property prediction.
Abstract: https://drive.google.com/file/d/1_YWig0C_CPg9N4ax3RttNfHddaD8N3Ny/view?usp=sharing