d Abstract) Leonid Chindelevitch1 , Daniel Ziemek1, , Ahmed Enayetallah2 , Ranjit Randhawa1 , Ben Sidders3 , Christoph Brockel4 , and Enoch Huang1 1 Computational Sciences Center o...
Leonid Chindelevitch, Daniel Ziemek, Ahmed Enayeta...
Summary: The MolClass toolkit and data portal generates computational models from user-defined small molecule datasets based on structural features identified in hit and non-hit m...