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If we designed airplanes like we design drugs
1Simulations Plus, Inc., Lancaster, CA, USA. walt@simulations-plus.com
Journal of Computer-Aided Molecular Design
|December 6, 2011
Summary
Computer-aided design transformed aerospace by enabling extensive digital prototyping. Pharmaceutical research lags, still relying on traditional methods, hindering efficient drug discovery.
Area of Science:
- Aerospace Engineering
- Pharmaceutical Sciences
- Computational Chemistry
Background:
- Early aircraft development relied on repurposed components and empirical testing, often leading to failures.
- Traditional drug discovery mirrors this early approach, synthesizing and testing molecules with high failure rates.
- The aerospace industry has significantly advanced through computer-aided design (CAD) and simulation.
Purpose of the Study:
- To compare the evolution of computer-based design in aerospace with progress in computer-aided drug design (CADD).
- To highlight the benefits of simulation and modeling in accelerating design and reducing failure rates.
- To identify the reasons for the slower adoption of advanced computational tools in pharmaceutical research.
Main Methods:
- Historical analysis of design methodologies in aerospace.
- Comparative review of computational approaches in aerospace and drug design.
- Assessment of software development and funding trends in pharmaceutical research.
Main Results:
- Aerospace extensively utilizes iterative computer-based design and simulation, drastically reducing physical prototypes.
- Drug discovery remains largely empirical, with CADD tools underdeveloped and underutilized compared to aerospace.
- Pharmaceutical software development is primarily entrepreneurial, lacking robust government and industry support for simulation tools.
Conclusions:
- The pharmaceutical industry lags approximately 30 years behind aerospace in adopting simulation and modeling for design.
- Increased investment in computational tools and recognizing the value of simulation are crucial for pharmaceutical innovation.
- Bridging the gap in computational design capabilities could significantly improve drug discovery efficiency and success rates.
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