Pathway ReactionPredictor

Enter in the reactant and target molecules with reaction conditions below. On submission, trained reaction prediction models will perform a constrained search for the target molecule starting from the reactants. See the Help page for background, a detailed description of the inputs and outputs, and references.

Reactants:	Enter SMILES for reactants. All inter- and intra-molecular reactions are considered.
Target:	Enter SMILES or mass for target molecule. Or, enter a comma-separated list of masses and/or SMILES. (email address required) Note that only charge-neutral products will be checked for matches!
Chemistry type:	Polar Radical Pericyclic Select one or more types of chemistry to use. If more than one type is selected, then the trained chemistry type predictor will be used.
Min score:	Enter the minimum score required for a reaction step to be considered.
Search depth:	Enter the maximum depth for tree search.
Branching factor:	Enter how many results will be considered for each reaction (top N).
Max equivalent readditions:	Only add each starting compound up to N times. Enter 0 for unlimited equivalents.
Decthres:	Only atoms with score above this number will be considered as reactive atoms.

Note: Depending on the input, the pathway prediction can take up to HOURS to run!