Seminar Abstracts

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  Dr. Christopher Lipinski
  Dr. Susan J. Ward   Dr. Shoibal Datta
  Dr. Herschel J.R. Weintraub
  Dr. Richard Barker  


Topic: Knowledge Capture and Discipline Based Disconnects between Medicinal Chemistry and Biology Screening

Abstract: Communication problems between medicinal chemistry and disciplines important to biology screening are not entirely a technical issue that can be solved by better software, annotation and visualization to facilitate cross discipline information transfer. Good software must be designed cognizant of the important cultural differences between biology and chemists. These cultural differences are based on; educational differences, different skill sets, differences in personnel supply chain dynamics and personnel responses to productivity pressures. Simplistically, with respect to cross discipline communication it is not enough to give the correct message. Rather the message must be tailored towards the skill sets of the audience. Specific examples will be given of biology / genomics vs. chemistry conflicts due to; 1) differences in chemistry pattern recognition; 2) differences in the perception of experimental variation; 3) differences in responses to organizational productivity pressures and 4) differences in the time course of skill acquisition.



Topic: Drug discovery strategy technology and process / implications for IT

Abstract: The drug disc process in pharma and biotech is continually evolving, embracing new technologies, and seeking ways to make the company process more effective. Effectiveness of drug discovery is not only related to cost per individual project, but is also designed by identifying products that are more likely to succeed in the clinic, and by reducing the total budget spent on projects that ultimately fail. This presentation will illustrate differences between discovery processes and define the impact of these differences on internal IT and informatics groups, as well as implications for vendors up and down the discovery vertical.



Topic: The discovery and development of new drugs depends on the successful convergence of information technology with research and development processes.

Abstract: Data integration requirements in pharmaceutical/biotech R&D environments present highly complex data management challenges. A wealth of data, including chemical structures, genome sequences, diversity and other properties, analytical and ADME/Tox data are continuously being collected and simulated. For a modern R&D organization to be successful, these data must be disseminated to the research scientists and management in a timely and efficient manner. In addition, imaging data, HTS biological assay data, and data from a myriad of LIMS Systems must be integrated. Validated data must be shared within the organization without compromising the integrity of the systems that contain them. Only with sophisticated informatics technologies and tools will researchers be able to identify and qualify drug targets, and develop compounds to respond to them, at the accelerated pace now required. A fully integrated IT infrastructure, combined with applications geared specifically to the needs of researchers, is critical to success. The problems, requirements, failure-prone areas, and other reflections on data integration will be discussed.



New Drug Discovery Paradigms

Abstract: The availability of new tools enables companies to challenge conventional thinking in their design of the drug discovery process. High throughput methods and integrated bioinformatics open up the possibility of parallel processing of key biology and chemistry steps. Predictive ADMET techniques can improve the shape of the discovery funnel. The concept of biomarkers can impact many individual steps - from the definition of the clinical target to the design of clinical trials. But, despite the new tools and paradigms, great teamwork between biology and chemistry remains the secret of success.



Topic: Data Integration in Drug Discovery: Developing Pragmatic Solutions

Abstract: Effective data integration solutions alleviate the productivity bottlenecks in the drug discovery and development lifecycle such as:

  • Failing leads faster
  • Reducing redundancy of effort
  • Retaining and sharing acquired knowledge from integrated data

Successful rollouts of such solutions face numerous challenges from availability, accessibility and relevance of data to the adoption and use of the solution within the organization. Organizations should approach the issue from a global, pragmatic perspective - balancing technology, people and processes with their informatics needs to develop solutions that have clearly defined and measurable goals and benefits. This talk will address these issues and illustrate solutions through case studies


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