538270 Advancing Machine Learning and Molecular Descriptor Methodologies Using the Chemml Program Suite

Mojtaba Haghighatlari, Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, NY and Johannes Hachmann, Chemical and Biological Engineering, University at Buffalo, SUNY, Buffalo, NY; Computational and Data-Enabled Science and Engineering Graduate Program, University at Buffalo, SUNY, Buffalo, NY; New York State Center of Excellence in Materials Informatics, University at Buffalo, Buffalo, NY