Open AccessGraph-Driven Reaction Discovery: Progress, Challenges, and Future Opportunities
Author(s) -
Idil Ismail,
Raphael Chantreau Majerus,
Scott Habershon
Publication year - 2022
Publication title -
the journal of physical chemistry. a/the journal of physical chemistry. a.
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.2c06408
Subject(s) - computer science , adjacency matrix , chemical space , graph , theoretical computer science , graph theory , molecular graph , adjacency list , computational chemistry , drug discovery , chemistry , algorithm , mathematics , biochemistry , combinatorics