SMAR® : Prediction of Molecular Mechanisms
SMAR® establishes the probability of a molecular entity interacting with multiple targets and producing more than one therapeutic outcome. SMAR® is based on well-defined molecular descriptors for each therapeutic target and training set data generated at the Institute.
Applications
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In silico screening of multitudinous libraries of molecular entities (
see PSMEL®).
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Drug repositioning by identifying new targets for known drugs.
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Discovering novel drug targets and new opportunities for targeted therapies.
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Managing large sets of natural products for biological activity. Although experimental screening of these compounds is the best way to obtain high-quality information, it is often too time-consuming and costly.