Medicinal Chemistry and Fuzzy Logic

Abstract This paper illustrates a novel technique based on Fuzzy Logic (FL) that allows both the prediction of pharmacological activity and the development of new compounds, showing a direction that is promising. The technique is based on the extraction of a fuzzy knowledge base. The paper gives two significant examples, which show that, by using the proposed technique, it is possible to predict the pharmacological activity of a given compound with a high probability of success. The examples concern compounds active against the Human Immunodeficiency Virus (HIV) type-1 by inhibition of the Reverse Transcriptase (RT) and some derivates of 9-benzyl purines against Rhinovirus serotype 1B.

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