HQSAR and random forest-based QSAR models for anti-T. vaginalis activities of nitroimidazoles derivatives GC Verissimo, EFM Dutra, ALT Dias, P de Oliveira Fernandes, ... Journal of Molecular Graphics and Modelling 90, 180-191, 2019 | 30 | 2019 |
Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern GC Verissimo, MSM Serafim, T Kronenberger, RS Ferreira, KM Honorio, ... Expert Opinion on Drug Discovery 17 (9), 929-947, 2022 | 10 | 2022 |
The Brazilian compound library (BraCoLi) database: a repository of chemical and biological information for drug design GC Veríssimo, VS dos Santos Júnior, IAR de Almeida, MSAM Ruas, ... Molecular Diversity 26 (6), 3387-3397, 2022 | 8 | 2022 |
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling GC Veríssimo, SQ Pantaleão, PO Fernandes, JC Gertrudes, ... Journal of Computer-Aided Molecular Design 37 (12), 735-754, 2023 | 4 | 2023 |
Computer-aided molecular design, synthesis and evaluation of antifungal activity of heterocyclic compounds NJC Oliveira, INS Teixeira, PO Fernandes, GC Veríssimo, AD Valério, ... Journal of Molecular Structure 1267, 133573, 2022 | 4 | 2022 |
Morita–Baylis–Hillman adducts derived from thymol: synthesis, in silico studies and biological activity against Giardia lamblia FJS Xavier, AB Lira, GC Verissimo, FS de S. Saraiva, AA de Oliveira Filho, ... Molecular Diversity, 1-14, 2022 | 4 | 2022 |
Evaluation of Toxicity and Oxidative Stress of 2-Acetylpyridine-N(4)-orthochlorophenyl Thiosemicarbazone AB Lira, GL Parrilha, GT Dias, FS de Sousa Saraiva, GC Veríssimo, ... Oxidative Medicine and Cellular Longevity 2022, 2022 | 4 | 2022 |
Machine learning methods in drug design GC Veríssimo, J de Castro Gertrudes, VG Maltarollo Cheminformatics, QSAR and Machine Learning Applications for Novel Drug …, 2023 | 1 | 2023 |
GCN-Based Structure-Activity Relationship and DFT Studies of Staphylococcus aureus FabI Inhibitors GC Veríssimo, VS dos Santos Junior, PO Fernandes, S Ishida, R Kojima, ... International Journal of Quantitative Structure-Property Relationships …, 2022 | 1 | 2022 |
The Brazilian Compound Library (BraCoLi) database: a Brazilian repository of chemical and biological information for drug design GC Veríssimo, VS dos Santos Junior, IAR de Almeida, MSAM Ruas, ... | 1 | 2021 |
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and … H Barbosa, GZ Espinoza, M Amaral, EV de Castro Levatti, MB Abiuzi, ... Journal of Chemical Information and Modeling, 2023 | | 2023 |
INTEGRATION OF LBDD AND SBDD STUDIES ON DRUG DESIGN: A FATTY ACID AMIDE HYDROLASE (FAAH) CASE STUDY PAL Santana, MSM Ruas, GC Veríssimo, ACG Terra, RB Oliveira, ... XXIX International Symposium" Bioinformatics and Computer-Aided Drug …, 2023 | | 2023 |