Drinking from a Fire Hose: Cyberinfrastructure Methods and Tools for Managing Information Overload and Complex Decision-Making in Molecular Products Design and Engineering
Systematic methods and tools for managing the complexity
Keynote Lectures: Theme-4
Keywords: Decsion making, informatics, ontology
Designing new materials and formulations with desired properties is an important and difficult problem, encompassing a wide variety of products in the specialty chemicals and pharmaceuticals industries. Traditional trial-and-error design approaches are laborious and expensive, and cause delays time-to-market as well as miss some potential solutions. A new paradigm is needed that increases the idea flow, broadens the search horizon, and archives the knowledge from today’s successes to accelerate those of tomorrow. Furthermore, the growing avalanche of high throughput experimentation data has created both an opportunity and a major informatics challenge for material design and discovery. Cyberinfrastructure will play a crucial role in product design, process development and commercial scale manufacturing by streamlining information gathering, data integration, model development, and managing all these for easy and timely access and reuse. In this talk, I will discuss a novel cyberinfrastructure framework called Ontological Discovery Informatics. The foundation of such an infrastructure is the explicitly and formally modeled information, called an Ontology. This framework enables the management of complexity, accumulation of knowledge, systematic hypotheses testing by interaction with experiments, and efficient search for new materials with desired performance characteristics. I will discuss the application of this paradigm for industrial molecular products design problems in the specialty chemical and pharmaceutical industries.
Presented Thursday 20, 15:20 to 16:00, in session Keynote Lectures: Theme-4 (T4-K3, K4, K5).
