Approaches to the Prediction of Druglikeness

Several different approaches have been used to generate druglikeness prediction tools. The simplest approach is to identify a range of descriptor values for druglike compounds. The best known example of this approach is the Lipinski rules [16], which predict poor 

Another approach is to generate an artificial neural network [49, 50, 104, 105] or decision tree [106] to distinguish between lists of drugs and nondrugs . Neural 

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