HQSAR analyses using several fragment distinctions with standard fragment size (4–7 atoms).
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https://figshare.com/articles/dataset/_HQSAR_analyses_using_several_fragment_distinctions_with_standard_fragment_size_4_8211_7_atoms_/897689
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资源简介：
q2: cross-validated correlation coefficient; SEP: cross-validated standard error; r2: correlation coefficient; SEE: standard error of estimation; HL: hologram length; N: optimal number of components. Fragment distinction: A, atoms; B, bonds; C, connections; H, hydrogen atoms; Ch, chirality; DA, donor and acceptor.
创建时间：
2014-01-08
