OpenPHACTS Chemistry Registry System handles each chemical record in 2 aspects: validation and standardization. Chemical validation is based on checks that RSC's Chemistry Validation and Standardization Platform performs. Validation rules include validation of bonds, atoms, valence, stereo. If in addition to molfile InChI, Smiles, or names were provided then they are crossed match to molfile. 

Standardization rules include rules from FDA's structure registration system, some of InChI normalization rules, and set of rules dealing with presentation (folding hydrogens, dealing with double bonds, SP3 stereo, etc.). 


Standardisation Process

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Standardization and Generation of Parents for Open PHACTS Chemical Registry System from Karen Karapetyan