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Efficient identification of novel anti-glioma lead compounds by machine learning models.
Neves BJ, Agnes JP, Gomes MDN, Henriques Donza MR, Gonçalves RM, Delgobo M, Ribeiro de Souza Neto L, Senger MR, Silva-Junior FP, Ferreira SB, Zanotto-Filho A, Andrade CH. Neves BJ, et al. Eur J Med Chem. 2020 Mar 1;189:111981. doi: 10.1016/j.ejmech.2019.111981. Epub 2019 Dec 19. Eur J Med Chem. 2020. PMID: 31978780
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery.
de Souza Neto LR, Moreira-Filho JT, Neves BJ, Maidana RLBR, Guimarães ACR, Furnham N, Andrade CH, Silva FP Jr. de Souza Neto LR, et al. Among authors: neves bj. Front Chem. 2020 Feb 18;8:93. doi: 10.3389/fchem.2020.00093. eCollection 2020. Front Chem. 2020. PMID: 32133344 Free PMC article. Review.
Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening.
Neves BJ, Dantas RF, Senger MR, Melo-Filho CC, Valente WC, de Almeida AC, Rezende-Neto JM, Lima EF, Paveley R, Furnham N, Muratov E, Kamentsky L, Carpenter AE, Braga RC, Silva-Junior FP, Andrade CH. Neves BJ, et al. J Med Chem. 2016 Aug 11;59(15):7075-88. doi: 10.1021/acs.jmedchem.5b02038. Epub 2016 Jul 22. J Med Chem. 2016. PMID: 27396732 Free PMC article.
Multitask learning-driven identification of novel antitrypanosomal compounds.
Lemos JM, Brito da Silva MF, Dos Santos Carvalho AM, Vicente Gil HP, Fiaia Costa VA, Andrade CH, Braga RC, Grellier P, Muratov EN, Charneau S, Moreira-Filho JT, Dourado Bastos IM, Neves BJ. Lemos JM, et al. Among authors: neves bj. Future Med Chem. 2023 Aug;15(16):1449-1467. doi: 10.4155/fmc-2023-0074. Epub 2023 Sep 13. Future Med Chem. 2023. PMID: 37701989
Cheminformatics-driven discovery of hit compounds against Paracoccidioides spp.
de Oliveira AA, Carmo Silva LD, Neves BJ, Fiaia Costa VA, Muratov EN, Andrade CH, de Almeida Soares CM, Alves VM, Pereira M. de Oliveira AA, et al. Among authors: neves bj. Future Med Chem. 2023 Sep;15(17):1553-1567. doi: 10.4155/fmc-2022-0288. Epub 2023 Sep 20. Future Med Chem. 2023. PMID: 37727967
60 results