Gabriel Marques

Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization

Phani Ghanakota, Pieter H. Bos, Kyle D. Konze et al. · Journal of Chemical Information and Modeling · 2020 · 53 citations

Covid-19 Dynamic Monitoring and Real-Time Spatio-Temporal Forecasting

Cecilia Cordeiro da Silva, Clarisse Lins de Lima, Ana Clara Gomes da Silva et al. · Frontiers in Public Health · 2021 · 34 citations · Full text

<i>De Novo</i> Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen

Gabriel Marques, Karl Leswing, Tim Robertson et al. · The Journal of Physical Chemistry A · 2021 · 22 citations

COVID-SGIS: A Smart Tool for Dynamic Monitoring and Temporal Forecasting of Covid-19

Clarisse Lins de Lima, Cecilia Cordeiro da Silva, Ana Clara Gomes da Silva et al. · Frontiers in Public Health · 2020 · 15 citations · Full text