no code implementations • 12 Dec 2019 • Subhashini Venugopalan, Arunachalam Narayanaswamy, Samuel Yang, Anton Geraschenko, Scott Lipnick, Nina Makhortova, James Hawrot, Christine Marques, Joao Pereira, Michael Brenner, Lee Rubin, Brian Wainger, Marc Berndl
Confounding variables are a well known source of nuisance in biomedical studies.
2 code implementations • 2 Mar 2016 • Steven Kearnes, Kevin McCloskey, Marc Berndl, Vijay Pande, Patrick Riley
Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications.
Ranked #11 on
Drug Discovery
on QM9