Download Artificial Intelligence in Chemistry and Chemical Engineering 2026
Artificial Intelligence in Chemistry and Chemical Engineering: From Basics to Practical Exercises book pdf download. The growing use of artificial intelligence is changing the way chemical research is conducted, from predicting chemical reactions to automating laboratory experiments and analyzing large amounts of scientific data. Artificial Intelligence in Chemistry and Chemical Engineering: From Basics to Practical Exercises introduces these technologies from a practical, chemistry-focused perspective and helps readers develop the skills needed to incorporate AI into their own research workflows.
Rather than focusing solely on theoretical concepts, the book combines explanations with tutorials, practical exercises, and examples drawn from real research applications. Topics include machine learning for chemical problems, cheminformatics, AI-based reaction prediction, chemical reaction databases, automated synthesis, and high-throughput experimentation. It also considers important issues surrounding the responsible use of AI, including ethical concerns, possible misuse, and regulatory requirements.
Key topics covered in the book include:
- Machine learning fundamentals explained in the context of chemistry and chemical engineering
- Methods for developing and applying large-scale chemical reaction data systems
- AI-assisted prediction and analysis of chemical reactions
- Case studies involving organic synthesis and molecular research
- Automated and high-throughput synthesis systems for improving experimental workflows
- Practical approaches to applying AI and data-driven methods in chemical discovery
- Ethical, regulatory, and safety considerations associated with AI-assisted laboratory research
The book is intended for researchers and students working across a broad range of disciplines, including organic, physical, theoretical, medicinal, analytical, pharmaceutical, and environmental chemistry. It is also relevant to materials scientists, chemical engineers, and computer scientists interested in applying artificial intelligence to chemical research.
With its combination of fundamental concepts and hands-on examples, this book can serve as a practical introduction for researchers who want to understand how AI, automation, and chemical data science can be incorporated into modern laboratory and industrial research.
- Author (s): Kuangbiao Liao
- Year of publication: 2026
- Publisher: Wiley-VCH
- Language: English
- ISBN: 3527355111, 9783527355112, 9783527852024, B0HFWSMVJP, 9783527852031, 9783527852048
- Number of pages: 534 pages
- Book format: PDF
- File size: 17 MB
