WhichCyp 1.2

Predicts binding to Cyp isophorms: 1A2, 2C9, 2C19, 2D6 and 3A4.
Interpretation of predictions taken from WhichCyp details

Binder{isophorm}: Value of 1 indicates likely to bind

Atom highlighting: highlight the fragment which was most significant in the model's decision to predict it as binding or non-binding.

Sensitivity warning: This means that the molecule is different enough from the training data that we are uncertain about the model's applicability.

Input ports

1. Type: Table
   Structures
   A table containing at least 1 column compatible with a CDK adapter (Smiles, Mol, SDF, CDK...)

Output ports

1. Type: Table
   WhichCyp predictions
   Predictions in the form of highlighted structures and IntCells (Binding (1/0), Warnings(count), Missing signature (count)