Functional Value

Incorporate chemist's feedback into ML models

Ability to like and dislike molecules produced by GTD in a given context

User Experience Value

Capture chemist's feedback to share with the project team and to guide the generative design

Add reaction that creates sulfonamide from amines and sulfonyl chlorides

Advanced parameter for MMP transforms only

Ability to remove Experiments made in error

Show depictions of bad substructures and unknown fragments found in the input molecules