Vinicius G. Maltarollo

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Kathia Maria HonorioProfessora de Química, Universidade de São PauloE-mail confirmado em usp.br
Thales KronenbergerUniversity Hospital of Tübingen - DZIF Tübingen Partner siteE-mail confirmado em uni-tuebingen.de
Philipe de Oliveira FernandesMSc. in Pharmaceutical Sciences & BSc. in ChemistryE-mail confirmado em ufmg.br
Jadson Castro GertrudesFederal University of Ouro PretoE-mail confirmado em ufop.edu.br
Mateus Sá Magalhães SerafimDepartamento de Microbiologia - Universidade Federal de Minas GeraisE-mail confirmado em ufmg.br
Gabriel C. VeríssimoDepartamento de Produtos Farmacêuticos, Faculdade de Farmácia, UFMGE-mail confirmado em ufmg.br
Bruno Eduardo Fernandes MotaPharmacy Faculty, Federal University of Minas Gerais, Brazil.E-mail confirmado em ufmg.br
Simone Queiroz PantaleãoUniversidade Federal do ABCE-mail confirmado em ufabc.edu.br
Michell de Oliveira AlmeidaPós-Doutorando em química (USP/Universitat de Barcelona)E-mail confirmado em usp.br
Antti PosoProfessor of Drug Design, University of Eastern FinlandE-mail confirmado em uef.fi
Valtair Severino dos Santos JúniorB.Sc. in Chemistry and M.Sc. in Pharmaceutical Sciences | Universidade Federal de Minas GeraisE-mail confirmado em ufmg.br
Scott, Ana L, Scott AL., Ana Ligia Scott,...Full Professor at UFABCE-mail confirmado em ufabc.edu.br
Susana JohannProfessora de Microbiologia, UFMGE-mail confirmado em icb.ufmg.br
Rafaela Salgado FerreiraBiochemistry and Immunology Department, Universidade Federal de Minas GeraisE-mail confirmado em icb.ufmg.br
Angelica Nakagawa LimaSenior Bioinformatics, Heart Institute (InCor) - University of São Paulo (USP)E-mail confirmado em hc.fm.usp.br
Eric Allison PhilotPhDE-mail confirmado em ufabc.edu.br
Erna Geessien KroonProfessor Titular de Microbiologia, Universidade Federal de Minas GeraisE-mail confirmado em icb.ufmg.br
Adriano de Paula SabinoProfessor of Hematology, Federal University of Minas GeraisE-mail confirmado em ufmg.br
A GanesanProfessor of Chemical Biology, University of East AngliaE-mail confirmado em uea.ac.uk
Leonardo Rander Asse JrScholastic at Midwest JesuitsE-mail confirmado em jesuits.org

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Vinicius G. Maltarollo

Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, UFMG

E-mail confirmado em ufmg.br - Página inicial

Machine Learning Medicinal Chemistry QSAR Virtual Screening Molecular Modelling


Título Ordenar por citações Ordenar por ano Ordenar por título	Citado por Citado por	Ano
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	243	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	193	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	163	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	121	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	119	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	95	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	90	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	83	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	64	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	46	2021
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	36	2019
Isolation and biochemical characterization of a new thrombin-like serine protease from Bothrops pirajai snake venom KD Zaqueo, AM Kayano, R Simões-Silva, LS Moreira-Dill, ... BioMed research international 2014, 2014	36	2014
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	35	2020
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	32	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	30	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	25	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

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