Last updated 27 April 2018 - testing Catalyst Ensembles.
Note: This web application is undergoing constant development and updating. In particular, we fixed some
bugs (2017-08-02 and 2017-08-11) that may have affected previous results.
Please enter some reactions and a food set, or modify the example data provided:
A sample input dataset has been provided. The input format for Reactions is as follows:
ReactionName (r1, r'1, r2, etc): Reactants [Catalysts] -> Products
The format for the Food set is as follows:
Each line of input is space separated. Extra spaces or characters will cause problems.
Reaction element labels can be alpha-numeric characters only, with the exception of a prime (single quote) character.
Multple Reactants and Products are separated by plus signs with no spaces.
Multiple Catalysts and the Food set elements are separated by commas with no spaces.
Catalyst Ensembles are denoted with an asterisk operator (see example 7).
Optionally, 2-way reactions can be denoted by <-> instead of a ->.
Reactions can be suppressed (i.e. commented out) with a % sign.
A figure of the example data set
If you have any queries, or to report any bugs, please email Dietrich.