Prediction of activity spectra for substances

The biological activity spectrum (BAS) is an intrinsic property of a compound that is representative of different pharmacological effects, physiological and biochemical mechanisms of action and specific toxicity (mutagenicity, carcinogenicity, teratogenicity, and embryotoxicity). The activity is largely dependent on the structural nature of a compound. Biologically active substances have therapeutic and supplementary actions, the latter manifesting as side effects. Some of the major biological activities of a compound become evident during the initial preclinical studies, others during clinical trains and the rest come to light during the postmarketing phase. These newer activities of the compound provide insight for therapeutic applications.