| Use of machine learning approaches for novel drug discovery AN Lima, EA Philot, GHG Trossini, LPB Scott, VG Maltarollo, KM Honorio Expert opinion on drug discovery 11 (3), 225-239, 2016 | 251 | 2016 |
| Machine learning techniques and drug design JC Gertrudes, VG Maltarollo, RA Silva, PR Oliveira, KM Honorio, ... Current medicinal chemistry 19 (25), 4289-4297, 2012 | 199 | 2012 |
| Applying machine learning techniques for ADME-Tox prediction: a review VG Maltarollo, JC Gertrudes, PR Oliveira, KM Honorio Expert opinion on drug metabolism & toxicology 11 (2), 259-271, 2015 | 164 | 2015 |
| Synthesis, molecular modeling studies and evaluation of antifungal activity of a novel series of thiazole derivatives CI Lino, IG de Souza, BM Borelli, TTS Matos, INS Teixeira, JP Ramos, ... European Journal of Medicinal Chemistry 151, 248-260, 2018 | 123 | 2018 |
| Applications of artificial neural networks in chemical problems VG Maltarollo, KM Honório, ABF da Silva Artificial neural networks-architectures and applications, 203-223, 2013 | 123 | 2013 |
| Transfer and multi-task learning in QSAR modeling: advances and challenges RS Simoes, VG Maltarollo, PR Oliveira, KM Honorio Frontiers in pharmacology 9, 74, 2018 | 98 | 2018 |
| Advances and perspectives in applying deep learning for drug design and discovery CF Lipinski, VG Maltarollo, PR Oliveira, ABF Da Silva, KM Honorio Frontiers in Robotics and AI 6, 108, 2019 | 97 | 2019 |
| Advances with support vector machines for novel drug discovery VG Maltarollo, T Kronenberger, GZ Espinoza, PR Oliveira, KM Honorio Expert opinion on drug discovery 14 (1), 23-33, 2019 | 86 | 2019 |
| Recent advances in the prediction of pharmacokinetics properties in drug design studies: a review SQ Pantaleão, PO Fernandes, JE Gonçalves, VG Maltarollo, KM Honorio ChemMedChem 17 (1), e202100542, 2022 | 69 | 2022 |
| Do drug‐likeness rules apply to oral prodrugs? ÍF Protti, DR Rodrigues, SK Fonseca, RJ Alves, RB de Oliveira, ... ChemMedChem 16 (9), 1446-1456, 2021 | 52 | 2021 |
| The application of machine learning techniques to innovative antibacterial discovery and development MSM Serafim, T Kronenberger, PR Oliveira, A Poso, KM Honorio, ... Expert Opinion on Drug Discovery 15 (10), 1165-1180, 2020 | 38 | 2020 |
| ADME profiling in drug discovery and a new path paved on silica A Krüger, V Gonçalves Maltarollo, C Wrenger, T Kronenberger Drug discovery and development-new advances, 1-30, 2019 | 38 | 2019 |
| Isolation and Biochemical Characterization of a New Thrombin‐Like Serine Protease from Bothrops pirajai Snake Venom KD Zaqueo, AM Kayano, R Simoes-Silva, LS Moreira-Dill, ... BioMed research international 2014 (1), 595186, 2014 | 37 | 2014 |
| Black tea kombucha: Physicochemical, microbiological and comprehensive phenolic profile changes during fermentation, and antimalarial activity MC de Noronha, RR Cardoso, CT dos Santos D'Almeida, MAV do Carmo, ... Food Chemistry 384, 132515, 2022 | 35 | 2022 |
| Structure-based virtual screening and discovery of new PPARδ/γ dual agonist and PPARδ and γ agonists VG Maltarollo, M Togashi, AS Nascimento, KM Honorio PloS one 10 (3), e0118790, 2015 | 32 | 2015 |
| 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 | 31 | 2019 |
| Theoretical study of tautomers and photoisomers of avobenzone by DFT methods GHG Trossini, VG Maltarollo, RDA Garcia, CASO Pinto, MVR Velasco, ... Journal of molecular modeling 21, 1-7, 2015 | 30 | 2015 |
| BbMP-1, a new metalloproteinase isolated from Bothrops brazili snake venom with in vitro antiplasmodial properties AM Kayano, R Simoes-Silva, PSM Medeiros, VG Maltarollo, KM Honorio, ... Toxicon 106, 30-41, 2015 | 26 | 2015 |
| Benchmark studies of UV–vis spectra simulation for cinnamates with UV filter profile RDA Garcia, VG Maltarollo, KM Honório, GHG Trossini Journal of Molecular Modeling 21, 1-13, 2015 | 26 | 2015 |
| Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer MO Almeida, DAS Barros, SC Araujo, SHDM Faria, VG Maltarollo, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 184, 169-176, 2017 | 23 | 2017 |
Kathia Maria HonorioProfessora de Química, Universidade de São Paulo在 usp.br 的电子邮件经过验证
