ISC'14

June 22–26, 2014
Leipzig, Germany

Presentation Details

 
Name: The Application of HPC Solutions from the ExaScience Life Lab in Drug Discovery at Janssen
 
Time: Wednesday, June 25, 2014
11:50 am - 12:10 pm
 
Room:   Hall 2
CCL - Congress Center Leipzig
 
Speaker:   Hugo Ceulemans, Janssen
 
Abstract:   The life sciences and the industries applying them can only envy the predictive prowess of the physical sciences that is embodied in computer assisted engineering. Nevertheless, pharmaceutical industries including Janssen, and regulatory authorities show a renewed interest in co-opting computational simulation, often referred to as Quantitative Systems Pharmacology, for the evaluation of benefits and risks of therapeutic approaches. It still remains a bottleneck that the characteristics of biological components are far less well understood than those of their mechanical counterparts. Theoretical derivation of these is still solidly beyond our reach. However, advances in miniaturization and parallelization of an expanding arsenal of biological readout technologies are beginning to enable the acquisition of sufficient data to learn, generalize and emulate the behavior of biological subsystems. Scaled up Machine Learning approaches are proving instrumental in this endeavor, and are deployed in Janssen to learn and predict the biochemical impact of compounds based on their chemical structure or phenotypic effects, or the sensitivities to compounds dictated by a given genetic makeup.
The explosion of primary data processing needs for high volume data sources like massively parallel sequencing and high content imaging, and the leap in scale of Machine Learning approaches and Quantitative Systems Pharmacology translate to increased needs in computational performance. To rise these challenges, Intel and the micro and nanoelectronics research center Imec, have teamed up with Janssen and the five universities in Flanders, Belgium to found the ExaScience Life Lab, which states the creation of novel supercomputer solutions for applied life sciences as its mission.