no code implementations • 22 Jun 2023 • Eduardo Soares, Emilio Vital Brazil, Karen Fiorela Aquino Gutierrez, Renato Cerqueira, Dan Sanders, Kristin Schmidt, Dmitry Zubarev
Our approach opens up promising avenues for future research in molecular property prediction by harnessing the synergistic potential of both chemical language and physicochemical features, leading to enhanced performance and advancements in the field.
no code implementations • 5 Nov 2022 • Dmitry Zubarev, Carlos Raoni Mendes, Emilio Vital Brazil, Renato Cerqueira, Kristin Schmidt, Vinicius Segura, Juliana Jansen Ferreira, Dan Sanders
There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy systems, pandemics, among others.