Theoretical and Computational Chemistry

Autochemistry: A Research Paradigm Based on Artificial Intelligence and Big Data

Thorsten Gressling ARS Computer und Consulting GmbH

Abstract

Artificial Intelligence technologies affect every domain and process in industry. Many solutions with different maturity levels have been created or are in development. With this paper we collect initiatives in the domain of chemical science and bring these resources together into a common process model.
We define ten building blocks, analyse their role in the architecture and evaluate their impact to the current system. Finally we discuss the changes and the transition that occurs to the lab worker and the chemist.
This paper introduces Autochemistry as a meme and for further development and discussion. We just can provide a first sketch to this exciting new area of scientific principles changing the anthropocentric fundament of chemistry research to a technocentric one.

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Version 4, last before publish

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