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:
BioEpisteme® Model Builder
The model-building module of BioEpisteme® allows users to create predictive models using a wide variety of proprietary data. BioEpisteme® has been used in combination with other QSAR software programs to predict chemical carcinogenesis in rodents
(4) and drug induced urinary tract and hepatobiliary toxicities
(5)
BioMFIS®
New molecular recognition software program targeting single molecular mechanisms. The program refines the prediction results of BioEpisteme®, which, in contrast to BioMFIS®, simultaneously targets multiple molecular mechanisms.
PSMEL® / IGSME®
Billions of chemicals are waiting to be tested for their potential therapeutic effects. A vast library of drug-like compounds (PSMEL
®) is being generated in silico at Prous Institute through a multistep process (IGSME
®) to fulill the needs of the
Epistemic Drug Discovery® project on autophagy and apoptosis modulation and type 2 diabetes.
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Conveyor®
Expert knowledge based systems developed at Prous Institute designed to selectively convey data and information from different domains in the areas of autophagy and apoptosis. A coherent and reasonable environment is created to promote the emergence of scientific knowledge.
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PSMEL® and Conveyor® stimulate the reasoning process to discover new opportunities within previously unexplored chemical and biological spaces.