Barcelona, July 22, 2010: Prous Institute presents its progress at the IUTOX 2010
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Antoni Valencia from the Cheminformatics Department at Prous Institute for Biomedical Research, will be presenting at the IUTOX2010: “BioEpisteme® – An in Silico Approach for Predicting and Understanding the Underlying Molecular Mechanisms Contributing to Toxicity Responses”. The presentation will form part of the IUTOX symposium “In Silico Toxicology” which will take place on Thursday, July 23rd at 10:00 am, at Hall number 7. Here is the abstract of the Dr. Valencia’s presentation:
“One area of our Epistemic Drug Discovery Program is focused on the simultaneous development of new in silico and in vitro toxicity testing strategies to procure safer drugs while reducing the unnecessary use of animals.
BioEpisteme®, a user-friendly and advanced quantitative structure-activity relationship (QSAR) software application developed at our Institute, plays a key role in our studies based on molecular descriptors. BioEpisteme® facilitates the creation and use of a wide variety of predictive models for drug discovery and in silico toxicity screening based on large molecular training sets and algorithms for classification or regression. These models, which are being developed, include SMAR® (molecular mechanisms of action), STER® (toxic/adverse effects) and SDiR® (drug interactions). The BioEpisteme® platform allows users to create their own predictive models, tailor-fitted to their needs, based on their proprietary molecular data bases. Training data sets dealing with animal toxicological and advanced human clinical information are compiled from published literature and from files generated experimentally in our labs. Our simultaneous/complementary in vitro and in silico research allows the quality of the whole data elaboration process to be controlled allowing for better predictive models.
The capabilities of our predictive technology will be illustrated by a series of case studies.”
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