Development of Machine Learning Models and the Discovery of a New Antiviral Compound against Yellow Fever Virus. - Victor O. Gawriljuk; Daniel H. Foil; Ana C. Puhl; Kimberley M. Zorn; Thomas R. Lane; Olga Riabova; Vadim Makarov; Andre S. Godoy; Glaucius Oliva; Sean Ekins (J. Chem. Inf. Model., 2021)

Machine Learning Models Identify Inhibitors of SARS-CoV-2. - Victor O. Gawriljuk; Phyo Phyo Kyaw Zin; Ana C. Puhl; Kimberley M. Zorn; Daniel H. Foil; Thomas R. Lane; Brett Hurst; Tatyana Almeida Tavella; Fabio Trindade Maranhão Costa; Premkumar Lakshmanane; Jean Bernatchez; Andre S. Godoy; et al. (J. Chem. Inf. Model., 2021)

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. - Melina Mottin; Bruna Katiele de Paula Sousa; Nathalya Cristina de Moraes Roso Mesquita; Ketllyn Irene Zagato de Oliveira; Gabriela Dias Noske; Geraldo Rodrigues Sartori; Aline Albuquerque; Fabio Urbina; Ana C. Puhl; José Teófilo Moreira-Filho; Guilherme E. Souza; Rafael V. C. Guido; et al. (J. Chem. Inf. Model., 2022)

Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors. - Mustafa Kemal Ozalp; Patricia A. Vignaux; Ana C. Puhl; Thomas R. Lane; Fabio Urbina; Sean Ekins (J. Chem. Inf. Model., 2024)