[Cdk-devel] [ cdk-Bugs-934819 ] Fingerprint is not subset

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Bugs item #934819, was opened at 2004-04-14 11:44
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Stefan Kuhn (shk3)
Assigned to: Nobody/Anonymous (nobody)
Summary: Fingerprint is not subset

Initial Comment:
Consider the two attached molecules. They are
substructures. Fingerprints look like:
     [java] {18, 25, 96, 157, 168, 184, 209, 213, 249,
253, 269, 313, 469, 481, 497, 509, 511, 530, 536, 539,
554, 571, 574, 575, 587, 614, 633, 735, 741, 742, 744,
770, 787, 812, 838, 848, 860, 888, 904, 990, 992, 994,
1017}
     [java] {18, 24, 25, 27, 28, 52, 83, 96, 102, 148,
150, 153, 157, 159, 164, 168, 176, 184, 199, 209, 213,
245, 249, 253, 269, 272, 277, 296, 312, 313, 317, 326,
363, 368, 413, 450, 466, 469, 471, 474, 479, 481, 482,
483, 496, 497, 498, 502, 503, 506, 509, 510, 511, 530,
532, 536, 539, 542, 544, 554, 571, 574, 575, 576, 581,
587, 614, 616, 630, 632, 633, 637, 639, 642, 644, 656,
657, 672, 673, 676, 678, 684, 703, 706, 709, 735, 741,
742, 744, 748, 760, 761, 770, 780, 787, 791, 804, 807,
812, 848, 860, 866, 867, 869, 873, 888, 899, 904, 936,
961, 968, 979, 990, 992, 994, 1004, 1017, 1022}
838 is in the substructure fingerprint, but not in the
superstructure fingerprint.

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