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Analysis of Chemical Data by Computer Modeling.

James F Rusling¹

¹a Drexel University , Philadelphia , Pennsylvania.

Critical Reviews in Analytical Chemistry

|February 1, 2017

Summary

This summary is machine-generated.

Sophisticated numerical analysis is now routine in modern chemistry due to advances in computing power. Laboratory microcomputers and future supercomputing capabilities enable complex data analysis for chemists.

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Area of Science:

Chemistry
Computer Science
Data Analysis

Background:

The increasing power and accessibility of computers have transformed numerical data analysis in modern chemistry.
Sophisticated computations, once requiring mainframe systems, are now feasible on laboratory microcomputers.
Advancements in computing technology are driving the evolution of integrated measurement and computation systems.

Purpose of the Study:

To highlight the impact of computing advancements on chemical data analysis.
To discuss the integration of computation within chemical instrumentation.
To explain the role of data analysis packages in modern chemical measurements.

Main Methods:

Utilizing laboratory microcomputers for complex analytical computations.
Leveraging mainframe "low-end supercomputing" capabilities for broader data analysis.
Implementing data analysis packages within commercial chemical instruments.

Main Results:

Numerical analysis of data has become a routine feature in modern chemistry.
Complex analytical computations are now commonplace on laboratory microcomputers.
Integrated measurement-computation systems are evolving rapidly.

Conclusions:

Computing technology has significantly enhanced the scope and efficiency of chemical data analysis.
Data analysis software is an essential component of modern chemical instrumentation.
The trend towards integrated systems will continue to advance chemical research and practice.