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The need for scientific software engineering in the pharmaceutical industry.
1Department of Scientific Computing, Dart NeuroScience, LLC, San Diego, CA, 92131, USA. bluty@dartneuroscience.com.
Journal of Computer-Aided Molecular Design
|December 21, 2016
Summary
Scientific software engineering is crucial for drug discovery. It ensures robust, maintainable software, enabling efficient investigation of novel computational chemistry and informatics ideas.
Area of Science:
- Drug discovery and computational science.
- Scientific software engineering.
- Research informatics.
Background:
- Distinguishing scientific software engineering from computational chemistry support and research informatics.
- Highlighting the unique skill set of scientific software engineers.
- Emphasizing the importance of software quality in scientific research.
Purpose of the Study:
- To define the role and value of scientific software engineering in drug discovery.
- To outline the benefits of applying software engineering practices to scientific software.
- To establish a foundation for efficient computational research.
Main Methods:
- Defining the core competencies of a scientific software engineer.
- Describing the characteristics of a well-engineered scientific software foundation.
- Illustrating the impact of robust software on research efficiency.
Main Results:
- Scientific software engineering is a distinct discipline.
- Skilled engineers create maintainable, validated, and robust software.
- This foundation enhances the efficiency of exploring new computational ideas.
Conclusions:
- Scientific software engineering is essential for advancing drug discovery.
- Investing in skilled software engineers yields significant research benefits.
- A strong software foundation accelerates innovation in computational science.
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