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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: conduit gj. 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.
OPTIMADE, an API for exchanging materials data.
Andersen CW, Armiento R, Blokhin E, Conduit GJ, Dwaraknath S, Evans ML, Fekete Á, Gopakumar A, Gražulis S, Merkys A, Mohamed F, Oses C, Pizzi G, Rignanese GM, Scheidgen M, Talirz L, Toher C, Winston D, Aversa R, Choudhary K, Colinet P, Curtarolo S, Di Stefano D, Draxl C, Er S, Esters M, Fornari M, Giantomassi M, Govoni M, Hautier G, Hegde V, Horton MK, Huck P, Huhs G, Hummelshøj J, Kariryaa A, Kozinsky B, Kumbhar S, Liu M, Marzari N, Morris AJ, Mostofi AA, Persson KA, Petretto G, Purcell T, Ricci F, Rose F, Scheffler M, Speckhard D, Uhrin M, Vaitkus A, Villars P, Waroquiers D, Wolverton C, Wu M, Yang X. Andersen CW, et al. Among authors: conduit gj. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
Imputation of Assay Bioactivity Data Using Deep Learning.
Whitehead TM, Irwin BWJ, Hunt P, Segall MD, Conduit GJ. Whitehead TM, et al. Among authors: conduit gj. J Chem Inf Model. 2019 Mar 25;59(3):1197-1204. doi: 10.1021/acs.jcim.8b00768. Epub 2019 Feb 21. J Chem Inf Model. 2019. PMID: 30753070
Inhomogeneous state of few-fermion superfluids.
Bugnion PO, Lofthouse JA, Conduit GJ. Bugnion PO, et al. Among authors: conduit gj. Phys Rev Lett. 2013 Jul 26;111(4):045301. doi: 10.1103/PhysRevLett.111.045301. Epub 2013 Jul 22. Phys Rev Lett. 2013. PMID: 23931378
13 results