Commit: Reaction classification and yield prediction using the differential reaction fingerprint DRFP
In “Reaction classification and yield prediction using the differential reaction fingerprint DRFP”, we introduce a reaction fingerprint, which sets the state-of-the-art in predicting the yield of reactions sourced from electronic lab notebooks.
Authors
- Daniel Probst (ORCID: https://orcid.org/0000-0003-1737-4407)
Institutions
- Wageningen University & Research (NL)
Publication Details
- Journal
- Digital Discovery
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5dd00089k
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00