Year: 2024
Type: article
Abstract: A simple method to calculate a similarity metric between two synthetic routes, based on bonds formed and grouping of atoms in the target compound.
Source: Digital Discovery
DOI: 10.1039/d4dd00292j
Authors: Samuel Genheden, Jason D. Shields
Institutions: AstraZeneca (Sweden), AstraZeneca (United States)
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4404112653