Reposted by Isaac Vidal-Daza
Can we find more efficient ways to encode chemical structures into computer-readable formats? Emilio's work is out in #DigitalDiscovery. With @isvida.bsky.social et al. across @kingsnmes.bsky.social, #SwanseaUniversity, @mitofficial.bsky.social and #UniversityofGranada pubs.rsc.org/en/content/a...
pubs.rsc.org
Embedded machine-readable molecular representation for resource-efficient deep learning applications
The practical implementation of deep learning methods for chemistry applications relies on encoding chemical structures into machine-readable formats that can be efficiently processed by computational...