Deep Learning in Drug Design

Activity: Talk or presentationContributed talkscience-to-science

Description

Deep Learning has emerged as one of the most successful fields of machine learning and artificial intelligence with overwhelming success in industrial speech, language and vision benchmarks. Consequently it became the central field of research for IT giants like Google, facebook, Microsoft, Baidu, and Amazon. Deep Learning is founded on novel neural network techniques, the recent availability of very fast computers, and massive data sets. In its core, Deep Learning discovers multiple levels of abstract representations of the input. Using Deep Learning we won the NIH Tox21 challenge organized by the US agencies NIH, EPA, and FDA, which was an unprecedented multi-million-dollar effort to test toxicity prediction methods. In collaboration with pharma companies Deep Learning has identified unknown side effects of drug candidates when given their chemical structure and learned on data from bioassays. We extended this approach to high content imaging, where we detect biological effects given images of cell lines to which a compound was added. We deploy Deep Neural Networks to toxicity and target prediction in collaboration with Janssen, Merck, Novartis, AstraZeneca, GSK, Bayer together with hardware-related companies like Intel, HP, NVIDIA and others.
Period28 Jul 2017
Event titleComputational Approaches in Precision Medicine
Event typeConference
LocationAustriaShow on map

Fields of science

  • 305 Other Human Medicine, Health Sciences
  • 102019 Machine learning
  • 304 Medical Biotechnology
  • 303 Health Sciences
  • 302 Clinical Medicine
  • 301 Medical-Theoretical Sciences, Pharmacy
  • 102 Computer Sciences
  • 106005 Bioinformatics
  • 106007 Biostatistics
  • 304003 Genetic engineering
  • 106041 Structural biology
  • 102010 Database systems
  • 101018 Statistics
  • 106023 Molecular biology
  • 106002 Biochemistry
  • 102001 Artificial intelligence
  • 102015 Information systems
  • 101004 Biomathematics
  • 102004 Bioinformatics

JKU Focus areas

  • Health System Research
  • Computation in Informatics and Mathematics
  • Clinical Research on Aging
  • Nano-, Bio- and Polymer-Systems: From Structure to Function
  • Medical Sciences (in general)