Research Topic

Artificial Intelligence in Chemistry

  • Submission closed.

About this Research Topic

Intelligent algorithms for machine learning, as well as “big data,” are seen as calculation and support tools for chemical applications, but never as an objective in and of themselves. The improvements and recent growth that the use of these tools has seen in the past few years can cover fields that are ...

Intelligent algorithms for machine learning, as well as “big data,” are seen as calculation and support tools for chemical applications, but never as an objective in and of themselves. The improvements and recent growth that the use of these tools has seen in the past few years can cover fields that are directly or indirectly related to chemistry, such as health or food technology, or even be implemented to aid in the development of pharmaceutical products or industrial applications. As such, it is timely to create a Research Topic where advances in this field, linked directly to chemistry, are presented.

On many occasions, due the great amount of information contained within databases arising from research and industry, the only way to tackle them in order to achieve usable and implementable applications is through machine learning. Machine learning can ensure that all useful hidden information contained in databases is interpreted effectively, and utilized to its fullest potential.

Intelligent or cognitive modeling enables the creation of tools that can be easily implemented into analytical equipment to serve as final detecting, quantifying, or classifying tools. With the capability of integrating optimized software to carry out many tasks, these algorithms can be coupled with data generating systems and directly provide outputs for many purposes in the chemical fields. On the other hand, the intrinsic nature of computational artificial intelligence allows for the ability to update and refresh the models as new data is generated, leading to more robust tools that cover larger windows of operation and eliminate negative confounding factors.

In this Research Topic, cutting-edge applications where computational artificial intelligence is employed to analyze chemical processes are welcome. Specifically, tools based on artificial neural networks and all of their supervised and non-supervised options, Bayesian networks, genetic algorithms, chaotic parameters, random forests, adaptive systems, expert systems, data mining, and so on, would be well-suited. The applications can be linked to modeling and/or optimizing chemical processes in any of its disciplines (organic chemistry, inorganic chemistry, materials sciences, chemical engineering, biochemistry, etc.), designing chemometric tools, estimating physicochemical properties, resolving complex mixtures, designing intelligent sensors, and many more potential applications.

Only contributions dealing with core chemistry will be considered for this collection; applications in the aforementioned fields must be related to modeling a clearly chemical phenomenon or process.


Keywords: neural networks, database, artificial intelligence, genetic algorithms, modeling


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

Recent Articles

Loading..

About Frontiers Research Topics

With their unique mixes of varied contributions from Original Research to Review Articles, Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author.

Topic Editors

Loading..

Submission Deadlines

Submission closed.

Participating Journals

Loading..

Topic Editors

Loading..

Submission Deadlines

Submission closed.

Participating Journals

Loading..
Loading..

total views article views article downloads topic views

}
 
Top countries
Top referring sites
Loading..

Comments

Loading..

Add a comment

Add comment
Back to top