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Chemistry, information and Frank: a tribute to Frank Brown.

Agrafiotis DK, Holloway MK, Johnson SA, Reynolds CH, Stouch TR, Tropsha A, Waller CL. Agrafiotis DK, et al. Among authors: waller cl. J Comput Aided Mol Des. 2018 Jul;32(7):723-729. doi: 10.1007/s10822-018-0135-9. Epub 2018 Jul 23. J Comput Aided Mol Des. 2018. PMID: 30039202 No abstract available.

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Invasive marine species discovered on non-native kelp rafts in the warmest Antarctic island.

Avila C, Angulo-Preckler C, Martín-Martín RP, Figuerola B, Griffiths HJ, Waller CL. Avila C, et al. Among authors: waller cl. Sci Rep. 2020 Jan 31;10(1):1639. doi: 10.1038/s41598-020-58561-y. Sci Rep. 2020. PMID: 32005904 Free PMC article.

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Microplastics in the Antarctic marine system: An emerging area of research.

Waller CL, Griffiths HJ, Waluda CM, Thorpe SE, Loaiza I, Moreno B, Pacherres CO, Hughes KA. Waller CL, et al. Sci Total Environ. 2017 Nov 15;598:220-227. doi: 10.1016/j.scitotenv.2017.03.283. Epub 2017 Apr 22. Sci Total Environ. 2017. PMID: 28441600 Free article. Review.

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Data to Decisions: Creating a Culture of Model-Driven Drug Discovery.

Brown FK, Kopti F, Chang CZ, Johnson SA, Glick M, Waller CL. Brown FK, et al. Among authors: waller cl. AAPS J. 2017 Sep;19(5):1255-1263. doi: 10.1208/s12248-017-0124-2. Epub 2017 Aug 2. AAPS J. 2017. PMID: 28770387

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Chemical space: missing pieces in cheminformatics.

Ekins S, Gupta RR, Gifford E, Bunin BA, Waller CL. Ekins S, et al. Among authors: waller cl. Pharm Res. 2010 Oct;27(10):2035-9. doi: 10.1007/s11095-010-0229-0. Epub 2010 Aug 4. Pharm Res. 2010. PMID: 20683645

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Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.

Verras A, Waller CL, Gedeck P, Green DV, Kogej T, Raichurkar A, Panda M, Shelat AA, Clark J, Guy RK, Papadatos G, Burrows J. Verras A, et al. Among authors: waller cl. J Chem Inf Model. 2017 Mar 27;57(3):445-453. doi: 10.1021/acs.jcim.6b00572. Epub 2017 Mar 17. J Chem Inf Model. 2017. PMID: 28257198

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Polychlorinated biphenyls as hormonally active structural analogues.

McKinney JD, Waller CL. McKinney JD, et al. Among authors: waller cl. Environ Health Perspect. 1994 Mar;102(3):290-7. doi: 10.1289/ehp.94102290. Environ Health Perspect. 1994. PMID: 8033869 Free PMC article. Review.

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Progress in predicting human ADME parameters in silico.

Ekins S, Waller CL, Swaan PW, Cruciani G, Wrighton SA, Wikel JH. Ekins S, et al. Among authors: waller cl. J Pharmacol Toxicol Methods. 2000 Jul-Aug;44(1):251-72. doi: 10.1016/s1056-8719(00)00109-x. J Pharmacol Toxicol Methods. 2000. PMID: 11274894 Review.

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Four disruptive strategies for removing drug discovery bottlenecks.

Ekins S, Waller CL, Bradley MP, Clark AM, Williams AJ. Ekins S, et al. Among authors: waller cl. Drug Discov Today. 2013 Mar;18(5-6):265-71. doi: 10.1016/j.drudis.2012.10.007. Epub 2012 Oct 23. Drug Discov Today. 2013. PMID: 23098820

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Strategies to support drug discovery through integration of systems and data.

Waller CL, Shah A, Nolte M. Waller CL, et al. Drug Discov Today. 2007 Aug;12(15-16):634-9. doi: 10.1016/j.drudis.2007.06.007. Epub 2007 Aug 1. Drug Discov Today. 2007. PMID: 17706544 Review.

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