Challenge#1 Collect and standardize chemical reaction data, including structures, reagents and conditions. Standardization of chemical reaction data is challenging because there are varies of reactions in organic chemistry. For example, reagents (such as Pd/C) may have different specifications. Solvents may or may not participate (as a reactant) in the reaction. NLP may be required to extract data from reaction procedures
The repo below is needed
https://github.com/sergsb/IUPAC2Struct.git
https://github.com/rxn4chemistry/rxnmapper.git
spiltrxn.py is to recognize the role of chemicals
ibmp.py is to transform the unstructured paragraph to structured paragraph
iupac_smi.py is to transform the Iupac to smiles
