Identifying and embedding transferability in data-driven representations of chemical space

Tim Gould, Bun Chan, Stephen Gregory Dale, Stefan Vuckovic

Keywords: DFT, Transferability

TL;DR: Identifying and embedding transferability in data-driven representations of chemical space

Confirmation Of Submission Requirements: I submit a previously published paper. It was published in an archival peer–reviewed venue on or after September 8th 2024, I specify the DOI in the field below, and I submit the camera-ready version of the paper.

DOI: https://doi.org/10.1039/D4SC02358G

Submission Number: 92