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The Drug Discovery Informatics conference will feature innovations in informatics approaches in drug discovery. This conference will showcase the infrastructure and tools that enable organizations and individual researchers to securely share biomedical data across different domains from myriad data sources, as well as software and algorithms that capture and aggregate the collective knowledge of research biology into a flexible data mining and analysis application.
WEDNESDAY, 12 OCTOBER
13:00 Conference Registration
Sponsored by
14:00 Chairperson’s Remarks
Yuriy Gankin, Ph.D., CSO, GGA Software Services LLC
14:05 Library Enhancement through the Wisdom of Crowds
Dimitris K. Agrafiotis, Vice President, Informatics, Johnson & Johnson Pharmaceutical Research & Development
We present a novel approach for enhancing the diversity of a chemical library rooted on the theory of the wisdom of crowds. Our approach was motivated by a desire to tap into the collective experience of our global medicinal chemistry community and involved the application of chemoinformatics techniques followed by community voting to select the most appropriate chemotypes. The solution was deployed as a plugin to 3DX, a powerful data analysis and visualization platform used by more than 1,000 scientists across J&J to support discovery, clinical, and translational research.
14:35 Collaborative Virtual Organization & Infrastructure for Anti-Malarial Drug Design
Barry Hardy, Ph.D., Project Coordinator, Scientists Against Malaria and SYNERGY
The Scientists Against Malaria consortium is a virtual drug discovery organization collaborating on target selection and modeling, protein expression and assay development, computational drug design, and screening. Supported by developments on the EU FP7 funded SYNERGY and OpenTox projects, a combination of interoperable information systems, ontologies and web services were designed and deployed to manage the data, documents, computational and assay results, activity and toxicology predictions, as well as dashboards to track project progress and to support decision making.
15:05 Integrated Decision Support for Drug Safety Assessment
Ola Spjuth, Ph.D., Researcher, Pharmaceutical Biosciences, Uppsala University, Sweden; Project Leader, Bioclipse
The Bioclipse Decision Support system is a free and open source solution developed as a collaboration between the Department of Pharmaceutical Biosciences at Uppsala University, Sweden, and the Computational Toxicology group at AstraZeneca R&D, Mölndal, Sweden. This talk presents a general framework for building and deploying predictive in silico models, demonstrated on drug safety data. The result is a decision support system capable of running local and remote models with interpretable results, and we here present our recent developments.
15:35 Refreshment Break - Networking with Sponsors
16:15 Interfacing Applications - SOAP, a Solution to Everything?
Jan Hauss, Ph.D., Head, IT Projects WL-AL, Merck KGaA
16:45 Towards a Brokering Framework for Knowledge-Based Services: Learning from the Pistoia Alliance SESL Pilot
Ian Harrow, Pistoia Alliance
This presentation describes a pilot project to determine the feasibility of biomedical knowledge brokering. It shows query across multiple disparate data sources through a brokering demonstrator built from RDF triple store technology. The learning from this pilot is contributing to larger scale projects such as the Innovative Medicines Initiative, OpenPFACTs.
17:15 Social Media Monitoring for the Pharma Industry: Challenges and Opportunities
Nenad Stojanovic, Ph.D., Project Manager, Research Center for Information technologies, University of Karlsruhe
PLENARY KEYNOTE SESSION
18:00 Keynote Introduction
 18:05 Protein Engineering: Benefiting Therapeutic Proteins and Small Molecule Drugs Alike
Andreas Plueckthun, Ph.D., Professor, Biochemical Institute, University of Zurich
 18:40 ‘Systems Patientomics’: The Future of Medicine
Hans Lehrach, Ph.D., Director & Head, Vertebrate Genomics, Max Planck Institute for Molecular Genetics
Ten years after the completion of the human genome in a ten year international collaboration at a cost of between 1 and 3 billion Dollar, we are now getting ready to be able to sequence genomes/ transcriptomes as part of routine medical practice in oncology. The flagship project IT Future of Medicine would extend this approach to generate integrated anatomical/molecular models of every patient in the healthcare system, as the basis for a data rich, computation intensive, individualized medicine of the future.
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19:15 – 21:00 CHI Networking Dinner Reception