Functional Value
GTD user scores are incorporated into the machine learning algorithms.
Ability to like and dislike molecules produced by GTD in a given context
Add reaction that creates sulfonamide from amines and sulfonyl chlorides
Advanced parameter for MMP transforms only
As a User I would like to remove Experiments made in error
how depictions of bad substructures and unknown fragments found in the input molecules
User Experience Value
An enhanced user experience to enable GTD users more control of the design by enabling the ability to like and dislike suggested molecules