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CSAR data set release 2012: ligands, affinities, complexes, and docking decoys.
Dunbar JB Jr, Smith RD, Damm-Ganamet KL, Ahmed A, Esposito EX, Delproposto J, Chinnaswamy K, Kang YN, Kubish G, Gestwicki JE, Stuckey JA, Carlson HA. Dunbar JB Jr, et al. Among authors: esposito ex. J Chem Inf Model. 2013 Aug 26;53(8):1842-52. doi: 10.1021/ci4000486. Epub 2013 May 10. J Chem Inf Model. 2013. PMID: 23617227 Free PMC article.
Findings of the challenge to predict aqueous solubility.
Hopfinger AJ, Esposito EX, Llinàs A, Glen RC, Goodman JM. Hopfinger AJ, et al. Among authors: esposito ex. J Chem Inf Model. 2009 Jan;49(1):1-5. doi: 10.1021/ci800436c. J Chem Inf Model. 2009. PMID: 19117422 No abstract available.
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