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