Open Waztom opened 3 years ago
Currently, Car selects the top three or less retrosynthetic routes from the IBM Rxn4chem API that have at least 0.9 model confidence. There is a crude filter implemented to attempt to increase variation by scoring the methods based on the reaction types and reactants/reagents involved - see https://github.com/Waztom/xchem-CAR/blob/dfff004e8a14bf5104eacdb2960cf396f5f8c444/CAR/backend/IBM/filtermethod.py
Need to spend more brain cells on this and get a better method that finds more variation in chemical routes!
Currently, Car selects the top three or less retrosynthetic routes from the IBM Rxn4chem API that have at least 0.9 model confidence. There is a crude filter implemented to attempt to increase variation by scoring the methods based on the reaction types and reactants/reagents involved - see https://github.com/Waztom/xchem-CAR/blob/dfff004e8a14bf5104eacdb2960cf396f5f8c444/CAR/backend/IBM/filtermethod.py
Need to spend more brain cells on this and get a better method that finds more variation in chemical routes!