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Teaching Cheminformatics through a Collaborative Intercollegiate Online Chemistry Course (OLCC)

Kim, Sunghwan and Bucholtz, Ehren C. and Briney, Kristin and Cornell, Andrew P. and Cuadros, Jordi and Fulfer, Kristen D. and Gupta, Tanya and Hepler-Smith, Evan and Johnston, Dean H. and Lang, Andrew S. I. D. and Larsen, Delmar and Li, Ye and McEwen, Leah R. and Morsch, Layne A. and Muzyka, Jennifer L. and Belford, Robert E. (2021) Teaching Cheminformatics through a Collaborative Intercollegiate Online Chemistry Course (OLCC). Journal of Chemical Education, 98 (2). pp. 416-425. ISSN 0021-9584. PMCID PMC7976600. doi:10.1021/acs.jchemed.0c01035.

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While cheminformatics skills necessary for dealing with an ever-increasing amount of chemical information are considered important for students pursuing STEM careers in the age of big data, many schools do not offer a cheminformatics course or alternative training opportunities. This paper presents the Cheminformatics Online Chemistry Course (OLCC), which is organized and run by the Committee on Computers in Chemical Education (CCCE) of the American Chemical Society (ACS)’s Division of Chemical Education (CHED). The Cheminformatics OLCC is a highly collaborative teaching project involving instructors at multiple schools who teamed up with external chemical information experts recruited across sectors, including government and industry. From 2015 to 2019, three Cheminformatics OLCCs were offered. In each program, the instructors at participating schools would meet face-to-face with the students of a class, while external content experts engaged through online discussions across campuses with both the instructors and students. All the material created in the course has been made available at the open education repositories of LibreTexts and CCCE Web sites for other institutions to adapt to their future needs.

Item Type:Article
Related URLs:
URLURL TypeDescription CentralArticle
Kim, Sunghwan0000-0001-9828-2074
Bucholtz, Ehren C.0000-0002-3261-2947
Briney, Kristin0000-0003-1802-0184
Cornell, Andrew P.0000-0003-1636-4784
Cuadros, Jordi0000-0001-6513-9140
Fulfer, Kristen D.0000-0003-0745-8172
Gupta, Tanya0000-0003-2246-9611
Hepler-Smith, Evan0000-0002-9245-5488
Johnston, Dean H.0000-0001-7533-8178
Lang, Andrew S. I. D.0000-0002-9922-1414
Larsen, Delmar0000-0003-4522-2689
Li, Ye0000-0001-8361-6916
McEwen, Leah R.0000-0003-2968-1674
Morsch, Layne A.0000-0003-4297-9280
Muzyka, Jennifer L.0000-0003-3948-3540
Belford, Robert E.0000-0002-4933-6379
Additional Information:© 2020 American Chemical Society. This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License, which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes. Received: August 3, 2020; Revised: October 21, 2020; Published: December 21, 2020. We would like to thank additional colleagues who participated in or contributed to the Cheminformatics OLCCs: David Wild (Indiana University Bloomington), Justin Shorb (Hope College), Stuart Chalk (University of North Florida), Ralph Stuart (Keene State College), John Penn (University of West Virginia), Damon Ridley (Reaxys), Anja Brunner (Reaxys), Herman Bergwerf (MolView), Robert Hanson (St. Olaf College), Martin Walker (SUNY-Potsdam), Elizabeth Blue (Campbell University), Jon Holmes (Chemical Education Xchange), Jason Moore (University of California, Davis), Hao Zhu (Rutgers University, Camden), Nathan Brown (BenevolentAI), Alex Clark (Molecular Materials Informatics, Inc.), Steve Heller (InChI Trust), Rick Spinney (Ohio State University), Peter Hoare (Newcastle University), and Xavier Prat-Resina (University of Minnesota Rochester). E.C.B. thanks Miss C. Katherine Bucholtz for assistance in creating the graphical abstract. The Cheminformatics OLCC was supported by the U.S. National Science Foundation (NSF) (Grant No. DUE-1140485). The work of S.K. was supported by the Intramural Research Program of the National Library of Medicine, National Institutes of Health. Select students who presented at the ACS National Meetings were supported by a joint Division of Chemical Education/Chemical Information (CHED/CINF) Innovative Project Grant (IPG) from the ACS. LibreTexts was supported by the U.S. NSF (Grant No. NSF-DUE-1525862) and Department of Education (Grant No. P116T180029). Author Contributions. The initial draft was written by S.K., L.R.M., E.B., K.D.F., J.L.M., J.C., R.E.B., D.J., and T.G. All authors commented on the manuscript and read and approved the final version. R.E.B. conceived this project, recruited subject matter experts for the project, taught all three sessions, was responsible for the Web sites, and wrote original material for the 2019 OLCC. S.K. developed modules about line notations, public chemical databases, and programmatic access for the three OLCCs. L.R.M. contributed to the original design of the course and developed several modules in 2015 and 2017. E.B. taught with the 2017 and 2019 OLCCs and contributed his own materials for the 2019 OLCC. K.D.F. and D.J. taught with the 2019 OLCC. J.C. developed modules for the three OLCCs and also led face-to-face classes for the 2017 and 2019 OLCCs. J.L.M. led a face-to-face class during the 2015 OLCC. L.A.M. taught a face to face class for the 2017 OLCC. T.G. participated in the 2017 OLCC and taught this class in hybrid mode that included weekly face-to-face meetings. A.S.I.D.L. developed modules for the 2015 OLCC. Y.L. codeveloped modules about finding information for research in chemistry, collaborative citation management, and data management best practices, and also provided instructional support in the 2015 OLCC. E.H.S. developed modules about representing small molecules and provided instructional support in 2015. A.P.C. helped with the content aspect of the 2017 OLCC and took care of the migration of the course materials from the CCCE Web site to LibreTexts. K.B. codeveloped modules about data management best practices and provided instructional support in the 2015 OLCC. The authors declare no competing financial interest.
Funding AgencyGrant Number
National Library of MedicineUNSPECIFIED
American Chemical SocietyUNSPECIFIED
Department of EducationP116T180029
Subject Keywords:Upper-Division Undergraduate; Graduate Education/Research General Public; Cheminformatics; Interdisciplinary/Multidisciplinary; Computer-Based Learning; Internet/Web-Based Learning; Professional Development
Issue or Number:2
PubMed Central ID:PMC7976600
Record Number:CaltechAUTHORS:20201224-085806868
Persistent URL:
Official Citation:Teaching Cheminformatics through a Collaborative Intercollegiate Online Chemistry Course (OLCC). Sunghwan Kim, Ehren C. Bucholtz, Kristin Briney, Andrew P. Cornell, Jordi Cuadros, Kristen D. Fulfer, Tanya Gupta, Evan Hepler-Smith, Dean H. Johnston, Andrew S.I.D. Lang, Delmar Larsen, Ye Li, Leah R. McEwen, Layne A. Morsch, Jennifer L. Muzyka, and Robert E. Belford. Journal of Chemical Education 2021 98 (2), 416-425; DOI: 10.1021/acs.jchemed.0c01035
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:107273
Deposited By: George Porter
Deposited On:04 Jan 2021 16:28
Last Modified:19 Apr 2021 18:04

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