Work

Commit: Reaction classification and yield prediction using the differential reaction fingerprint DRFP

Year: 2025

Type: article

Abstract: 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.

Source: Digital Discovery

DOI: 10.1039/d5dd00089k

Author: Daniel Probst

Institution: Wageningen University & Research

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W4411936691

FWCI:

Cites: 10

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Related to: 10