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This book is the result of a collaborative effort led by a group of experts from the fields of computer science, artificial intelligence (AI), chemistry, and education. The joint editorial team includes Haomin Zhuang, Xiuxiu Tang, Ying Cheng, Olaf Wiest, and Xiangliang Zhang, each contributing their expertise to ensure the content is relevant, accurate, and useful for researchers and educators at the intersection of chemistry and data science.

We welcome any feedback, suggestions, or inquiries related to the book’s content and are open to collaboration with researchers, educators, and students. For more information or to get in touch, please contact us at:

Email: xzhang33@nd.edu

Address: Department of Computer Science and Engineering, University of Notre Dame, Notre Dame, IN 46556

Your input is invaluable to us as we continue to develop and enhance this resource for the benefit of the chemistry and data science communities.