A machine learning workflow for molecular analysis: application to melting points.
Ganesh SivaramanNicholas E. JacksonBenjamín Sánchez-LengelingÁlvaro Vázquez-MayagoitiaAlán Aspuru-GuzikVenkatram VishwanathJuan J. de PabloPublished in: Mach. Learn. Sci. Technol. (2020)