| QSAR-based virtual screening: advances and applications in drug discovery BJ Neves, RC Braga, CC Melo-Filho, JT Moreira-Filho, EN Muratov, ... Frontiers in pharmacology 9, 1275, 2018 | 562 | 2018 |
| In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery LR de Souza Neto, JT Moreira-Filho, BJ Neves, RLBR Maidana, ... Frontiers in chemistry 8, 93, 2020 | 282 | 2020 |
| BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees JT Moreira-Filho, RC Braga, JM Lemos, VM Alves, JVVB Borba, WS Costa, ... Artificial Intelligence in the Life Sciences 1, 100013, 2021 | 51 | 2021 |
| Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling K Mansouri, JT Moreira-Filho, CN Lowe, N Charest, T Martin, ... Journal of Cheminformatics 16 (1), 19, 2024 | 45 | 2024 |
| QSAR-based virtual screening of natural products database for identification of potent antimalarial hits LT Ferreira, JVB Borba, JT Moreira-Filho, A Rimoldi, CH Andrade, ... Biomolecules 11 (3), 459, 2021 | 35 | 2021 |
| Schistosomiasis drug discovery in the era of automation and artificial intelligence JT Moreira-Filho, AC Silva, RF Dantas, BF Gomes, LR Souza Neto, ... Frontiers in immunology 12, 642383, 2021 | 34 | 2021 |
| Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpa Is Associated with Alterations in Both Plasma Membrane Electric Potential … EA Oliveira, IA Brito, ML Lima, M Romanelli, JT Moreira-Filho, BJ Neves, ... Journal of Natural Products 82 (5), 1177-1182, 2019 | 25 | 2019 |
| Best practices for docking-based virtual screening BJ Neves, M Mottin, JT Moreira-Filho, BK de Paula Sousa, SS Mendonca, ... Molecular docking for computer-aided drug design, 75-98, 2021 | 22 | 2021 |
| Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni LR de Souza Neto, BO Montoya, J Brandão-Neto, A Verma, S Bowyer, ... Scientific Reports 14 (1), 1582, 2024 | 17 | 2024 |
| Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow JT Moreira-Filho, D Ranganath, M Conway, C Schmitt, N Kleinstreuer, ... Journal of Cheminformatics 16 (1), 101, 2024 | 16 | 2024 |
| Unlocking the potential of clustering and classification approaches: navigating supervised and unsupervised chemical similarity K Mansouri, K Taylor, S Auerbach, S Ferguson, R Frawley, JH Hsieh, ... Environmental Health Perspectives 132 (8), 085002, 2024 | 16 | 2024 |
| Artificial intelligence-guided Approach for Efficient Virtual Screening of Hits Against Schistosoma Mansoni JT Moreira-Filho, BJ Neves, RA Cajas, J Moraes, CH Andrade Future Medicinal Chemistry 15 (22), 2033-2050, 2023 | 14 | 2023 |
| Discovery of new Zika protease and polymerase inhibitors through the open science collaboration project OpenZika M Mottin, BK de Paula Sousa, NC de Moraes Roso Mesquita, ... Journal of chemical information and modeling 62 (24), 6825-6843, 2022 | 14 | 2022 |
| Automated framework for developing predictive machine learning models for data-driven drug discovery BJ Neves, JT Moreira-Filho, AC Silva, JVVB Borba, M Mottin, VM Alves, ... Journal of the Brazilian Chemical Society 32 (1), 110-122, 2021 | 12 | 2021 |
| Synthesis and molecular modelling studies of pyrimidinones and pyrrolo[3,4-d]-pyrimidinodiones as new antiplasmodial compounds KR Rogerio, LJM Carvalho, LHP Domingues, BJ Neves, JT Moreira Filho, ... Memórias do Instituto Oswaldo Cruz 113 (8), e170452, 2018 | 11 | 2018 |
| Artificial intelligence systems for the design of magic shotgun drugs JT Moreira-Filho, MFB da Silva, JVVB Borba, AR Galvão Filho, ... Artificial Intelligence in the Life Sciences 3, 100055, 2023 | 10 | 2023 |
| Shortcuts to schistosomiasis drug discovery: The state-of-the-art JT Moreira-Filho, RF Dantas, MR Senger, AC Silva, DMB Campos, ... Annual Reports in Medicinal Chemistry 53, 139-180, 2019 | 8 | 2019 |
| Deep Multitask Learning-Driven Discovery of New Compounds Targeting Leishmania infantum ESA Santos, JM Lemos, AM dos Santos Carvalho, ... ACS omega 9 (52), 51271-51284, 2024 | 5 | 2024 |
| A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents R Scheufen Tieghi, JT Moreira-Filho, HJ Martin, J Wellnitz, MC Otoch, ... Toxics 12 (11), 803, 2024 | 5 | 2024 |
| External Validation of STopTox-Novel Alternative Method (NAM) for Acute Systemic and Topical Toxicity RS Tieghi, CC Melo-Filho, HJ Martin, JT Moreira-Filho, T LaPratt, D Allen, ... Environmental health perspectives, 2025 | 3 | 2025 |
Carolina Horta AndradeProfessor of Medicinal Chemistry, Faculty of Pharmacy, Universidade Federal de GoiasVerified email at ufg.br
![Kamel Mansouri [orcid:0000-0002-6426-8036]](https://scholar.googleusercontent.com/citations?view_op=small_photo&user=Mu3Ya3QAAAAJ&citpid=6)
