SELFormer: Molecular Representation Learning via SELFIES Language Models

1 code implementation • 10 Apr 2023 • Atakan Yüksel, Erva Ulusoy, Atabey Ünlü, Tunca Doğan

Overall, our research demonstrates the benefit of using the SELFIES notations in the context of chemical language modeling and opens up new possibilities for the design and discovery of novel drug candidates with desired features.

Dimensionality Reduction Drug Discovery +6