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Fingerprint substructure

ECFP fingerprints = Extended Connectivity FingerPrints substructure descriptors (O fingerprints)... [Pg.241]

FCFP fingerprints = Functional Connectivity Fingerprints substructure descriptors (0 fingerprints)... [Pg.311]

Mini-FingerPrints —> substructure descriptors ( structural keys)... [Pg.497]

PDT fingerprints substructure descriptors (Q pharmacophore-based descriptors)... [Pg.580]

Figure 2-65. This fingerprint was received by hashing, whereas only one part of all the substructures is specified in the illustration. The asterisk indicates the address of a collision in the bit string, generated by the algorithm. Figure 2-65. This fingerprint was received by hashing, whereas only one part of all the substructures is specified in the illustration. The asterisk indicates the address of a collision in the bit string, generated by the algorithm.
Smith, J. Prediction of putative reaction centres in Xenobiotics from metabolite using substructural fingerprinting. Transactions of the Biochemical Society. http //www.chemie.uni-erlangen.de/ dark/ smith/SPORCalc.html. [Pg.264]

Searches were carried out as described previously, and the results are shown in Table 4. Inspection of these results reveals the general superiority of the circular substructure descriptors (with the notable exception of the FCFP 2), with the EFCP 4 fingerprints being the best for virtual screening of the sort advocated here. [Pg.142]

See other pages where Fingerprint substructure is mentioned: [Pg.212]    [Pg.310]    [Pg.37]    [Pg.172]    [Pg.183]    [Pg.241]    [Pg.311]    [Pg.522]    [Pg.833]    [Pg.73]    [Pg.212]    [Pg.310]    [Pg.37]    [Pg.172]    [Pg.183]    [Pg.241]    [Pg.311]    [Pg.522]    [Pg.833]    [Pg.73]    [Pg.72]    [Pg.72]    [Pg.405]    [Pg.405]    [Pg.662]    [Pg.694]    [Pg.699]    [Pg.193]    [Pg.193]    [Pg.197]    [Pg.51]    [Pg.988]    [Pg.87]    [Pg.357]    [Pg.120]    [Pg.121]    [Pg.17]    [Pg.134]    [Pg.136]    [Pg.140]    [Pg.141]    [Pg.141]    [Pg.141]    [Pg.151]    [Pg.153]    [Pg.339]    [Pg.73]    [Pg.314]   
See also in sourсe #XX -- [ Pg.64 ]



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