API

Literature

1.Format：
http://www.rxnfinder.org/chemhub/literature_API/?q=para1
2.Parameter：
para1: It is the smiles form or name of the compound.
3.Example：
http://www.rxnfinder.org/chemhub/literature_API/?q=Myo-Inositol

Reaction

1.Format：
http://www.rxnfinder.org/chemhub/reaction_API/?q=para1
2.Parameter：
para1: It is the smiles form or name of the compound.
3.Example：
http://www.rxnfinder.org/chemhub/reaction_API/?q=Myo-Inositol

Pathway

1.Format：
http://www.rxnfinder.org/chemhub/pathway_API/?q=para1
2.Parameter：
para1: It is the smiles form or name of the compound.
3.Example：
http://www.rxnfinder.org/chemhub/pathway_API/?q=Myo-Inositol

Biotransformation

1.Format：
http://www.rxnfinder.org/chemhub/biotransformation_API/?smiles=para1&EC=para2&atomsratio=para3&molsimilarity=para4&analysis=para5
2.Parameters：
para1: It is the smiles form of the compound.
para2: The first digit of the EC number of the para2 enzyme, any combination of numbers 1 to 7 can be selected.Connect numbers with commas.
para3: Determine the radius of the atom extracted as the reaction rule. It is one of 1, 2, 3, 4, 5 .... 10.
para4: Please input Similarity range from 0 to 1.
para5: Optional Feasibility, Drug-likeness or Toxicity
3.Example：
http://www.rxnfinder.org/chemhub/biotransformation_API/?smiles=O=C(O)c1cccc(O)c1O&EC=1,+2,+3,+4,+5,+6,+7&atomsratio=3&molsimilarity=0.8&analysis=feasibility

De novo

1.Format：
http://www.rxnfinder.org/chemhub/denovo_API/?precursor=para1&target=para2&steps=para3&iterations=para4
2.Parameters：
para1: It is the smiles form of the precusor.
para2: It is the smiles form of the target compound.
para3: It must be an integer, which means that how many reactions involved at most, the maximum number of reactions is limited to 10 for the sake of computation time.
para4: It Is the number of loop iterations in the reverse synthesis algorithm, generally set to 1000.
3.Example：
http://www.rxnfinder.org/chemhub/denovo_API/?precursor=glucose&target=caffeic%20acid&steps=5&iterations=10 Tips: Since the algorithm is random, the results will vary with the number of times.