3D-Scaffold: Deep Learning Framework to Generate 3D Coordinates of Drug-like Molecules with Desired Scaffolds.
Rajendra Prasad Joshi, Niklas W. A. Gebauer, Mridula Bontha, Mercedeh Khazaieli, Rhema M. James, James Brown, Neeraj Kumar
The paper introduces a deep learning framework that generates 3D coordinates of drug-like molecules with desired scaffolds, showing it can create valid, novel, and synthesizable molecules with drug-like properties.
The Journal of Physical Chemistry B · Oct 18, 2021Peer-reviewedBioinformatics