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Scaffold-based Classification Approach

Table 7.4 Chemical scaffold-based classification, ligand structures approach to DNA-ligand case study and PDB records of models use d to test the GBPM ... [Pg.163]

In addition, there have also been a number of efforts to find more efficient ways to categorise and enumerate compounds. One approach to defining the relationship of compounds to each other uses a chemical space defined by a set of 500 compounds described with 60 molecular descriptors onto which novel compounds can then be mapped.116 Another approach that has been described uses a rule-based classification scheme to define the common scaffold or core of compounds.117 This approach has been taken further to develop a scoring function to allow the prioritisation of compound libraries for testing.118... [Pg.265]


See other pages where Scaffold-based Classification Approach is mentioned: [Pg.137]    [Pg.155]    [Pg.213]    [Pg.214]    [Pg.137]    [Pg.155]    [Pg.213]    [Pg.214]    [Pg.94]    [Pg.158]    [Pg.60]    [Pg.194]    [Pg.197]    [Pg.194]    [Pg.197]   
See also in sourсe #XX -- [ Pg.213 ]




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