Ontology highlight
ABSTRACT:
SUBMITTER: O'Boyle NM
PROVIDER: S-EPMC3461574 | biostudies-literature | 2007 May
REPOSITORIES: biostudies-literature
O'Boyle Noel M NM Holliday Gemma L GL Almonacid Daniel E DE Mitchell John B O JB
Journal of molecular biology 20070302 5
The concept of reaction similarity has been well studied in terms of the overall transformation associated with a reaction, but not in terms of mechanism. We present the first method to give a quantitative measure of the similarity of reactions based upon their explicit mechanisms. Two approaches are presented to measure the similarity between individual steps of mechanisms: a fingerprint-based approach that incorporates relevant information on each mechanistic step; and an approach based only o ...[more]