A case study of QSARs with discrete values

6 A case study of QSARs with discrete values 

In the following example we want to derive quantitative structure-activity relationships for a biological property, the anti-mycobacterial activity (ABA) of a class of quinolones. The compounds in our study are described by the generic structure 

ABA is measured by the minimal concentration that inhibits Mycobacterium for-tuitum, the minimal inhibitory concentration (MIC). Table 7.18 gives experimental MIC values (in / g/mL)of m = 51 quinolones [248]. The gaps in the table are obviously cases for prediction by a QSAR model. We will construct such models using various methods. 

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