Chemistry in a graph: modern insights into commercial organic synthesis planning
Year: 2024
Type: article
Abstract: We present graph databases as a modern solution for storing and accessing chemical knowledge. This approach is demonstrated in commercial route selection and holds the potential to create a universal data-sharing framework for chemistry.
Source: Digital Discovery
DOI: 10.1039/d4dd00120f
Authors: Claudio Avila, Adam West, Anna C. Vicini, William Waddington, Christopher Brearley, James Clarke, Andrew M. Derrick
Institution: Pfizer (United Kingdom)
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4400950564