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Introduction to the World of Chemical Data—an OnLine College Course (OLCC) on Cheminformatics

Published/Copyright: December 16, 2016
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Chemistry International
From the journal Chemistry International Volume 38 Issue 6

In today’s emerging world of big data and interconnected science it is critical for tomorrow’s chemists to develop skills in the handling of publically available chemical data. You are invited to participate in the Spring 2017 Cheminformatics OLCC, an international multi-campus collaborative taught course that also trains faculty in the latest cheminformatics techniques.

OLCCs (OnLine Chemistry Courses) date back to 1996, and are really hybrid courses where online guest lecturers interact with students and faculty from multiple campuses, enabling schools and faculty to offer courses on topics they would not normally be able to offer. To date 16 schools are involved with offering the 2017 course and we are seeking more schools internationally. Each school has a residential faculty facilitator (instructor of credit) with the course being offered from 1-3 credit hours. Schools offering it as a 1 credit course are running it as an independent study/undergraduate research course with the instructor using it as an opportunity for faculty advancement, while those at 3 credit hours are using it as part of the faculty member’s assigned teaching load. This course is built upon the Fall 2015 Cheminformatics OLCC material, which is publically available through LibreTexts (formerly ChemWiki*), but will focus on open access chemical compound datasets.

Overview of Cheminformatics OLCC:

  1. Course is conducted using blended learning involving online guest lecturers and resident faculty facilitators

  2. Students and faculty interact with experts in the field of cheminformatics.

  3. Students will interact with staff scientists at public compound databases like PubChem.

  4. No programming skills are required to participate.

  5. Students will gain experience in basic programming and accessing public chemical databases programmatically.

  6. Student projects provide opportunities to collaborate across multiple institutions, both academic and nonacademic

Students will:

  1. Gain an introductory understanding of finding, evaluating and representing chemical information.

    1. Finding chemical information: Automating database access (use of IUPAC InChI).

    2. Evaluating chemical information: Extracting chemical information using simple programming techniques.

    3. Representing chemical information: Programmatically exchanging different chemical representations for purposes of analysis and visualization.

  2. Gain experience using spreadsheets and scripting to answer questions in cheminformatics.

All material in this course is open access and will be archived on both the course website, and in Libretexts (formerly the ChemWiki). Schools outside of the US are welcome to participate and interested parties should contact Bob Belford, .

* http://chem.libretexts.org/ search “UALR 4399”

Online erschienen: 2016-12-16
Erschienen im Druck: 2016-12-1

©2016 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Masthead - Full issue pdf
  2. Contents
  3. Vice-President’s Column
  4. IUPAC— Holding the International Chemistry Family Together
  5. Stamps International
  6. Reaching Out for the Sun
  7. Features
  8. IChO-48—An Extraordinary Olympiad of Chemistry
  9. SAICM Science Sector and IUPAC Activities
  10. The Solar Army
  11. IUPAC Wire
  12. Chemistry International Goes Seasonal
  13. Future of the Chemical Sciences
  14. IUPAC 2017 Distinguished Women in Chemistry or Chemical Engineering—Call for Nominations
  15. 2017 IUPAC-Solvay International Award For Young Chemists
  16. IUPAC100 Logo Competition
  17. UNESCO/PhosAgro/IUPAC Green Chemistry for Life Program
  18. Hanwha Total IUPAC Young Scientist Award 2016
  19. DSM Materials Sciences Award 2016 Goes to Professor Steven P. Armes
  20. WANTED: A Home for an Orphaned Chemical Database
  21. Project Place
  22. Identifying International Chemical Identifier (InChI) Enhancements—QR Codes and Industry Applications
  23. Categorizing Chalcogen, Pnictogen, and Tetrel Bonds, and Other Interactions Involving Groups 14-16 Elements
  24. Standardization of Electrical Energy Per Order (EEO) Reporting for UV/H2O2 Reactors
  25. Isotopes Matter
  26. Materials on the Nanoscale—Uniform Description System Version 2.0
  27. Making an imPACt
  28. How to Name New Chemical Elements (IUPAC Recommendations 2016)
  29. Vocabulary of Concepts and Terms in Chemometrics (IUPAC Recommendations 2016)
  30. Glossary of Terms Used in Extraction (IUPAC Recommendations 2016)
  31. Extraction for Analytical Scale Sample Preparation (IUPAC Technical Report)
  32. Review of Footnotes and Annotations to the 1949–2013 Tables of Standard Atomic Weights and Tables of Isotopic Compositions of the Elements (IUPAC Technical Report)
  33. Guidelines for Measurement of Luminescence Spectra and Quantum Yields of Inorganic and Organometallic Compounds in Solution and Solid State (IUPAC Technical Report)
  34. Bookworm
  35. Storing Energy, with Special Reference to Renewable Energy Sources
  36. Chemistry Beyond Chlorine
  37. POLYCHAR 23—World Forum on Advanced Materials
  38. Macromolecular Complexes Part I and II
  39. Polymer-Solvent Complexes and Intercalates POLYSOLVAT-10
  40. A Draft Framework for Understanding SDG Interactions
  41. Up for Discussion
  42. Is it possible to extend the Cahn-Ingold-Prelog priority rules to supramolecular structures and coordination compounds using lone pairs?
  43. Preliminary Property Design for Ionic Solids and Liquids
  44. Conference Call
  45. New Chemistries for Phytomedicines and Crop Protection Chemicals
  46. Science: How Close to Open?
  47. Chemical Safety and Security in a Rapidly Changing World
  48. POLYCHAR 24 World Forum Advanced Materials
  49. Polymers and Organic Chemistry (POC-16)
  50. Phosphorus Chemistry
  51. Where 2B & Y
  52. Solutions for Drug-Resistant Infections
  53. Macro- and Supramolecular Architectures and Materials
  54. Colloquium Spectroscopicum Internationale
  55. Introduction to the World of Chemical Data—an OnLine College Course (OLCC) on Cheminformatics
  56. Chemical Identifier
  57. Digital Cultural Heritage
  58. 16th International Meeting on Boron Chemistry (IMEBORON16)
  59. Mark Your Calendar
  60. Index 2016
https://doi.org/10.1515/ci-2016-0644

Articles in the same Issue

  1. Masthead - Full issue pdf
  2. Contents
  3. Vice-President’s Column
  4. IUPAC— Holding the International Chemistry Family Together
  5. Stamps International
  6. Reaching Out for the Sun
  7. Features
  8. IChO-48—An Extraordinary Olympiad of Chemistry
  9. SAICM Science Sector and IUPAC Activities
  10. The Solar Army
  11. IUPAC Wire
  12. Chemistry International Goes Seasonal
  13. Future of the Chemical Sciences
  14. IUPAC 2017 Distinguished Women in Chemistry or Chemical Engineering—Call for Nominations
  15. 2017 IUPAC-Solvay International Award For Young Chemists
  16. IUPAC100 Logo Competition
  17. UNESCO/PhosAgro/IUPAC Green Chemistry for Life Program
  18. Hanwha Total IUPAC Young Scientist Award 2016
  19. DSM Materials Sciences Award 2016 Goes to Professor Steven P. Armes
  20. WANTED: A Home for an Orphaned Chemical Database
  21. Project Place
  22. Identifying International Chemical Identifier (InChI) Enhancements—QR Codes and Industry Applications
  23. Categorizing Chalcogen, Pnictogen, and Tetrel Bonds, and Other Interactions Involving Groups 14-16 Elements
  24. Standardization of Electrical Energy Per Order (EEO) Reporting for UV/H2O2 Reactors
  25. Isotopes Matter
  26. Materials on the Nanoscale—Uniform Description System Version 2.0
  27. Making an imPACt
  28. How to Name New Chemical Elements (IUPAC Recommendations 2016)
  29. Vocabulary of Concepts and Terms in Chemometrics (IUPAC Recommendations 2016)
  30. Glossary of Terms Used in Extraction (IUPAC Recommendations 2016)
  31. Extraction for Analytical Scale Sample Preparation (IUPAC Technical Report)
  32. Review of Footnotes and Annotations to the 1949–2013 Tables of Standard Atomic Weights and Tables of Isotopic Compositions of the Elements (IUPAC Technical Report)
  33. Guidelines for Measurement of Luminescence Spectra and Quantum Yields of Inorganic and Organometallic Compounds in Solution and Solid State (IUPAC Technical Report)
  34. Bookworm
  35. Storing Energy, with Special Reference to Renewable Energy Sources
  36. Chemistry Beyond Chlorine
  37. POLYCHAR 23—World Forum on Advanced Materials
  38. Macromolecular Complexes Part I and II
  39. Polymer-Solvent Complexes and Intercalates POLYSOLVAT-10
  40. A Draft Framework for Understanding SDG Interactions
  41. Up for Discussion
  42. Is it possible to extend the Cahn-Ingold-Prelog priority rules to supramolecular structures and coordination compounds using lone pairs?
  43. Preliminary Property Design for Ionic Solids and Liquids
  44. Conference Call
  45. New Chemistries for Phytomedicines and Crop Protection Chemicals
  46. Science: How Close to Open?
  47. Chemical Safety and Security in a Rapidly Changing World
  48. POLYCHAR 24 World Forum Advanced Materials
  49. Polymers and Organic Chemistry (POC-16)
  50. Phosphorus Chemistry
  51. Where 2B & Y
  52. Solutions for Drug-Resistant Infections
  53. Macro- and Supramolecular Architectures and Materials
  54. Colloquium Spectroscopicum Internationale
  55. Introduction to the World of Chemical Data—an OnLine College Course (OLCC) on Cheminformatics
  56. Chemical Identifier
  57. Digital Cultural Heritage
  58. 16th International Meeting on Boron Chemistry (IMEBORON16)
  59. Mark Your Calendar
  60. Index 2016
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