BioEpisteme®
BioEpisteme® is a QSAR program developed at Prous Institute based on well-defined 2-D and 3-D molecular descriptors. The program facilitates the creation of a wide variety of predictive models that link chemical structures to biological responses or adverse effects, or to ADME (absorption, distribution, metabolism and excretion) profiles. These models are interrelated, each having been designed in the context of the others. BioEpisteme® is organised into two main modules: a data prediction module and a model building module. The predictive models are integrated in the in silico Drug Discovery System (i-DDS). Molecular descriptor-based BioEpisteme® models under development at Prous Institute include:
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structure/molecular mechanism of action relationships
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structure/therapeutic activity relationships
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structure/ toxic effect relationships
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structure/ADME relationships
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structure/biological process relationships
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structure/drug interaction relationships
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