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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Tse EG, Aithani L, Anderson M, Cardoso-Silva J, Cincilla G, Conduit GJ, Galushka M, Guan D, Hallyburton I, Irwin BWJ, Kirk K, Lehane AM, Lindblom JCR, Lui R, Matthews S, McCulloch J, Motion A, Ng HL, Öeren M, Robertson MN, Spadavecchio V, Tatsis VA, van Hoorn WP, Wade AD, Whitehead TM, Willis P, Todd MH. Tse EG, et al. Among authors: cardoso silva j. J Med Chem. 2021 Nov 25;64(22):16450-16463. doi: 10.1021/acs.jmedchem.1c00313. Epub 2021 Nov 8. J Med Chem. 2021. PMID: 34748707 Free article.
Network-based piecewise linear regression for QSAR modelling.
Cardoso-Silva J, Papageorgiou LG, Tsoka S. Cardoso-Silva J, et al. J Comput Aided Mol Des. 2019 Sep;33(9):831-844. doi: 10.1007/s10822-019-00228-6. Epub 2019 Oct 18. J Comput Aided Mol Des. 2019. PMID: 31628660 Free PMC article.
Optimisation-based modelling for explainable lead discovery in malaria.
Li Y, Cardoso-Silva J, Kelly JM, Delves MJ, Furnham N, Papageorgiou LG, Tsoka S. Li Y, et al. Among authors: cardoso silva j. Artif Intell Med. 2024 Jan;147:102700. doi: 10.1016/j.artmed.2023.102700. Epub 2023 Nov 22. Artif Intell Med. 2024. PMID: 38184363 Free article.