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Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships.
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- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0236-9
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Molecular descriptor data explain market prices of a large commercial chemical compound library.
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- Scientific Reports, 2016, p. 28521, doi. 10.1038/srep28521
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- Article