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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: wade ad. 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.
Ensemble-Based Approaches Ensure Reliability and Reproducibility.
Wan S, Bhati AP, Wade AD, Coveney PV. Wan S, et al. Among authors: wade ad. J Chem Inf Model. 2023 Nov 27;63(22):6959-6963. doi: 10.1021/acs.jcim.3c01654. Epub 2023 Nov 15. J Chem Inf Model. 2023. PMID: 37965695 Free PMC article.
25 results