RxnSim: a tool to compare biochemical reactions: Fig. 1.

Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity

(2015) Nadine Schneider et al.   Journal of Chemical Information and Modeling

EC-BLAST: a tool to automatically search and compare enzyme reactions

(2014) Syed Asad Rahman et al.   NATURE METHODS

Updates in Rhea—a manually curated resource of biochemical reactions

(2014) Anne Morgat et al.   NUCLEIC ACIDS RESEARCH

Open-source platform to benchmark fingerprints for ligand-based virtual screening

(2013) Sereina Riniker et al.   Journal of Cheminformatics

Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets

(2012) Roberto Todeschini et al.   Journal of Chemical Information and Modeling

RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity

(2011) Q.-N. Hu et al.   BIOINFORMATICS

Molecular signatures-based prediction of enzyme promiscuity

(2010) Pablo Carbonell et al.   BIOINFORMATICS

Automatic Assignment of EC Numbers

(2010) Volker Egelhofer et al.   PLoS Computational Biology

Metabolite and reaction inference based on enzyme specificities

(2009) M. J. L. de Groot et al.   BIOINFORMATICS