Multiscale modeling in drug discovery and development: future opportunities and present challenges.
Modeling and simulation (M&S) is a diverse discipline that uses tools from mathematics, statistics, and computer science to arrive at quantitative predictions. Its application to biological systems has a checkered history with respect to success and failure. The instances of failure may reflect the heterogeneity of M&S approaches. In order to ensure a successful outcome, M&S must be fit for purpose and responsive; connecting with biological concepts is critical; sharing of results has to be done properly; buy-in is achieved in stages. These concepts are being applied in drug discovery and development and are yielding success. However, bottlenecks remain.
Pfizer Global Research and Development, La Jolla Laboratories, San Diego, California, USA. vicini@u.washington.edu
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D003198:Computer Simulation; D055808:Drug Discovery / Q000379:methods*; D004345:Drug Industry / Q000639:trends; D005544:Forecasting; D015201:Meta-Analysis as Topic; D008954:Models, Biological; D015233:Models, Statistical; D010601:Pharmacology, Clinical / Q000639:trends*