Contrastive pretraining on condensed reaction graphs improves yield prediction across academic and industrial benchmarks.
Reaction classifica- tion and yield prediction using the differential reaction fingerprint drfp.Digital Discovery, 1(2):91–97, 04 2022
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
citation-role summary
background 1
citation-polarity summary
fields
cs.LG 1years
2026 1verdicts
CONDITIONAL 1roles
background 1polarities
support 1representative citing papers
citing papers explorer
-
RxnCLF: Contrastive Transformation-Aware Reaction Foundation Model for Improved Reactivity Prediction
Contrastive pretraining on condensed reaction graphs improves yield prediction across academic and industrial benchmarks.