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★ 18 Open GitHub ↗

Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020

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Thorsten Gressling
# Data Science in Chemistry
## Examples
Artificial Intelligence, Big Data, Chemometrics and Quantum Computing with Jupyter
Series: De Gruyter Textbook
De Gruyter  |  2021

The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.

- A uniquely concise introduction for chemists looking to tap the potential of data science.
- Contains numerous working examples in Jupyter

## Credits to the coders
The book would not have been possible without the passion and the contributions of hundreds of scientists who had listed their programs on GitHub! I thank Greg
Landrum, Oliver Beckstein, Daniel Pelliccia, Björn Dahlgreen, and Jean-Baptiste Lamy, five individuals who are part of the GitHub community.

## Contact
In case of errors or comments, please open an issue on github.com/Gressling/ examples. I am available on LinkedIn or ResearchGate for further contact and discussion.

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