Artificial intelligence (AI) and data science (DS) are receiving a lot of attention in various fields. In the educational field, the need for education utilizing AI and DS is also being emerged. In this context, we have created an AI/DS integrating program that generates a compound classification/regression model using characteristics of compounds…

As data science and instrumentation become key practices in common careers ranging from medicine to agriscience, chemistry as a core introductory course must introduce such topics to students early and at an accessible level. Advanced data acquisition and data science generally require expensive precision instrumentation and massive computation,…

Integration of computational data science (CDS) into the university curriculum offers several advantages for students, faculty and the institution. This article discusses the benefits to students of introducing CDS into the university curriculum with a focus on developing skills in cheminformatics, data analysis, structure--activity relationships,…