The use of computational chemistry and cheminformatics, including the application of data science techniques, has become as pervasive in chemistry research as lab glassware and analytical instrumentation.  Its integration into academic classrooms, particularly at the high school level, has not kept pace with current trends in chemistry.  The North Carolina School of Science and Mathematics, working in collaboration with Optibrium, Ltd and their StarDrop software for small molecule design, optimisation and data analysis, have developed an advanced course in computational medicinal chemistry that builds on and augments typical topics in high school chemistry and biology.  This course is part of a larger series of computational science courses at NCSSM such as “Data Science for Scientists”, “Computational Biology/Bioinformatics”, and “Digital Humanities”.  In this session, NCSSM’s chief computational science educator and scientists from Optibrium will discuss the medicinal chemistry program, the role that software vendors play in the education of “early scientists” and the value this partnership brings.

Medicinal chemistry curricula for high school students: Catching up with industry state of the art

ACS Spring 2022

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