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MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling.
J Comput Aided Mol Des. 2023 Dec;37(12):735-754. doi: 10.1007/s10822-023-00536-y. Epub 2023 Oct 7.
J Comput Aided Mol Des. 2023.
PMID: 37804393
HQSAR and random forest-based QSAR models for anti-T. vaginalis activities of nitroimidazoles derivatives.
Veríssimo GC, Menezes Dutra EF, Teotonio Dias AL, de Oliveira Fernandes P, Kronenberger T, Gomes MA, Maltarollo VG.
Veríssimo GC, et al.
J Mol Graph Model. 2019 Jul;90:180-191. doi: 10.1016/j.jmgm.2019.04.007. Epub 2019 Apr 19.
J Mol Graph Model. 2019.
PMID: 31100677
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Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern.
Veríssimo GC, Serafim MSM, Kronenberger T, Ferreira RS, Honorio KM, Maltarollo VG.
Veríssimo GC, et al.
Expert Opin Drug Discov. 2022 Sep;17(9):929-947. doi: 10.1080/17460441.2022.2114451. Epub 2022 Aug 30.
Expert Opin Drug Discov. 2022.
PMID: 35983695
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The Brazilian compound library (BraCoLi) database: a repository of chemical and biological information for drug design.
Veríssimo GC, Dos Santos Júnior VS, de Almeida IADR, Ruas MSM, Coutinho LG, de Oliveira RB, Alves RJ, Maltarollo VG.
Veríssimo GC, et al.
Mol Divers. 2022 Dec;26(6):3387-3397. doi: 10.1007/s11030-022-10386-9. Epub 2022 Jan 28.
Mol Divers. 2022.
PMID: 35089481
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Morita-Baylis-Hillman adducts derived from thymol: synthesis, in silico studies and biological activity against Giardia lamblia.
Xavier FJS, Lira AB, Verissimo GC, de S Saraiva FS, de Oliveira Filho AA, de Souza-Fagundes EM, de F F M Diniz M, Gomes MA, Castro AC, Silva FPL, Lima-Junior CG, Vasconcellos MLAA.
Xavier FJS, et al. Among authors: verissimo gc.
Mol Divers. 2022 Aug;26(4):1969-1982. doi: 10.1007/s11030-021-10308-1. Epub 2021 Sep 5.
Mol Divers. 2022.
PMID: 34482477
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Evaluation of Toxicity and Oxidative Stress of 2-Acetylpyridine-N(4)-orthochlorophenyl Thiosemicarbazone.
Lira AB, Parrilha GL, Dias GT, de Sousa Saraiva FS, Veríssimo GC, de Sousa RS, da Silva TG, de Oliveira Filho AA, Alves AF, de Souza-Fagundes EM, Beraldo H, Gomes MA, Diniz MFFM.
Lira AB, et al. Among authors: verissimo gc.
Oxid Med Cell Longev. 2022 Mar 19;2022:4101095. doi: 10.1155/2022/4101095. eCollection 2022.
Oxid Med Cell Longev. 2022.
PMID: 35345833
Free PMC article.
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Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches.
Barbosa H, Espinoza GZ, Amaral M, de Castro Levatti EV, Abiuzi MB, Veríssimo GC, Fernandes PO, Maltarollo VG, Tempone AG, Honorio KM, Lago JHG.
Barbosa H, et al. Among authors: verissimo gc.
J Chem Inf Model. 2024 Apr 8;64(7):2565-2576. doi: 10.1021/acs.jcim.3c01410. Epub 2023 Dec 26.
J Chem Inf Model. 2024.
PMID: 38148604
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