| 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 | 173 | 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 | 138 | 2012 |
| O show da química: motivando o interesse científico A Arroio, KM Honório, KC Weber, P Homem-de-Mello, MTP Gambardella, ... Química Nova 29, 173-178, 2006 | 133 | 2006 |
| Aspectos terapêuticos de compostos da planta Cannabis sativa KM Honório, A Arroio, ABF Silva Química nova 29, 318-325, 2006 | 123 | 2006 |
| 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 | 115 | 2015 |
| Propriedades químico-quânticas empregadas em estudos das relações estrutura-atividade A Arroio, KM Honório, ABF da Silva Química Nova 33, 694-699, 2010 | 94 | 2010 |
| An AM1 study on the electron‐donating and electron‐accepting character of biomolecules KM Honório, ABF Da Silva International Journal of Quantum Chemistry 95 (2), 126-132, 2003 | 89 | 2003 |
| Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants RS Borges, J Batista Jr, RB Viana, AC Baetas, E Orestes, MA Andrade, ... Molecules 18 (10), 12663-12674, 2013 | 84 | 2013 |
| Applications of artificial neural networks in chemical problems VG Maltarollo, KM Honório, ABF da Silva Artificial neural networks-architectures and applications, 203-223, 2013 | 79 | 2013 |
| Electrochemical behavior of nicotine studied by voltammetric techniques at boron‐doped diamond electrodes HB Suffredini, MC Santos, D De Souza, L Codognoto, ... Analytical letters 38 (10), 1587-1599, 2005 | 71 | 2005 |
| Hologram quantitative structure–activity relationships for a series of farnesoid X receptor activators KM Honorio, RC Garratt, AD Andricopulo Bioorganic & medicinal chemistry letters 15 (12), 3119-3125, 2005 | 70 | 2005 |
| Use of graphite polyurethane composite electrode for imipramine oxidation—mechanism proposal and electroanalytical determination RA De Toledo, MC Santos, KM Honório, ABF Da Silva, ETG Cavalheiro, ... Analytical letters 39 (3), 507-520, 2006 | 62 | 2006 |
| The influence of electronic, steric and hydrophobic properties of flavonoid compounds in the inhibition of the xanthine oxidase SL Da Silva, A Da Silva, KM Honório, S Marangoni, MH Toyama, ... Journal of Molecular Structure: THEOCHEM 684 (1-3), 1-7, 2004 | 62 | 2004 |
| 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 | 59 | 2018 |
| A structure–activity relationship study of quinone compounds with trypanocidal activity FA Molfetta, AT Bruni, KM Honório, ABF Da Silva European journal of medicinal chemistry 40 (4), 329-338, 2005 | 59 | 2005 |
| Pharmacokinetic properties and in silico ADME modeling in drug discovery K M Honorio, T L Moda, A D Andricopulo Medicinal Chemistry 9 (2), 163-176, 2013 | 56 | 2013 |
| A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical AK Calgarotto, S Miotto, KM Honório, ABF Da Silva, S Marangoni, JL Silva, ... Journal of Molecular Structure: THEOCHEM 808 (1-3), 25-33, 2007 | 53 | 2007 |
| 3D QSAR comparative molecular field analysis on nonsteroidal farnesoid X receptor activators KM Honório, RC Garratt, I Polikarpov, AD Andricopulo Journal of Molecular Graphics and Modelling 25 (6), 921-927, 2007 | 45 | 2007 |
| 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 | 44 | 2019 |
| Estudo eletroquímico e químico-quântico da oxidação do antidepressivo tricíclico amitriptilina RA Toledo, LH Mazo, MC Santos, KM Honório, ABF Silva, ... Química Nova 28, 456-461, 2005 | 41* | 2005 |
