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.
Vicini
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Pfizer Global Research and Development, La Jolla Laboratories, San Diego, California, USA. vicini@u.washington.edu
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*