| GNINA 1.0: molecular docking with deep learning AT McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ... Journal of cheminformatics 13 (1), 43, 2021 | 300 | 2021 |
| Three-dimensional convolutional neural networks and a cross-docked data set for structure-based drug design PG Francoeur, T Masuda, J Sunseri, A Jia, RB Iovanisci, I Snyder, ... Journal of chemical information and modeling 60 (9), 4200-4215, 2020 | 181 | 2020 |
| Convolutional neural network scoring and minimization in the D3R 2017 community challenge J Sunseri, JE King, PG Francoeur, DR Koes Journal of computer-aided molecular design 33, 19-34, 2019 | 57 | 2019 |
| SolTranNet–A machine learning tool for fast aqueous solubility prediction PG Francoeur, DR Koes Journal of chemical information and modeling 61 (6), 2530-2536, 2021 | 55 | 2021 |
| Actin-binding protein profilin1 promotes aggressiveness of clear-cell renal cell carcinoma cells A Allen, D Gau, P Francoeur, J Sturm, Y Wang, R Martin, J Maranchie, ... Journal of Biological Chemistry 295 (46), 15636-15649, 2020 | 24 | 2020 |
| BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening M Brocidiacono, P Francoeur, R Aggarwal, KI Popov, DR Koes, A Tropsha Journal of Chemical Information and Modeling, 2022 | 7 | 2022 |
| GNINA 1.0: molecular docking with deep learning. J Cheminform 13: 43 AT McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ... | 6 | 2021 |
| Inhibition of ocular neovascularization by novel anti-angiogenic compound D Gau, L Vignaud, P Francoeur, D Koes, X Guillonneau, P Roy Experimental eye research 213, 108861, 2021 | 4 | 2021 |
| 3D Convolutional neural networks and a crossdocked dataset for structure-based drug design P Francoeur, T Masuda, J Sunseri, A Jia, RB Iovanisci, I Snyder, DR Koes J Chem Inf Model, 2020 | 2 | 2020 |
| Condensing Molecular Docking CNNs via Knowledge Distillation A McNutt, Y Li, P Francoeur, D Koes | | 2024 |
| Advancing Machine Learning for Small Molecule Property Prediction PG Francoeur University of Pittsburgh, 2024 | | 2024 |
| Expanding Training Data for Structure-Based Receptor–Ligand Binding Affinity Regression through Imputation of Missing Labels PG Francoeur, DR Koes ACS omega 8 (44), 41680-41688, 2023 | | 2023 |
| Profilin1: actin inhibitor as an anti-angiogenic compound P Roy, L McDERMOTT, AE Allen, D Koes, DM Gau, PG Francoeur, ... US Patent App. 18/019,219, 2023 | | 2023 |
| Active Learning for Small Molecule pKa Regression; a Long Way To Go P Francoeur, D Penaherrera, D Koes | | 2022 |
| Exploring sequence-to-sequence learning methods for end-to-end, complete protein structure prediction J King, P Francoeur, D Koes ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Predicting protein-ligand binding affinity with gnina P Francoeur, D Koes ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| First-generation small molecule antagonists of profilin1 suppresses pathological retinal neovascularization X Guillonneau, J Sturm, P Francoeur, P Roy Investigative Ophthalmology & Visual Science 60 (9), 2787-2787, 2019 | | 2019 |
| DREAMing of big data and scalable machine learning: Predicting kinase binding with matrix factorization D Koes, J King, P Francoeur, A Kowalczyk, S Rajashekar, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Supporting Information: GNINA 1.0: Molecular docking with deep learning A McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ... | | |
| Supporting Information: 3D Convolutional Neural Networks and a CrossDocked Data Set for Structure-Based Drug Design PG Francoeur, T Masuda, DR Koes | | |
