SubjectsSubjects(version: 950)
Course, academic year 2021/2022
Advanced Chemical Informatics - M143001
Title: Pokročilá chemická informatika
Guaranteed by: Department of Informatics and Chemistry (143)
Faculty: Faculty of Chemical Technology
Actual: from 2019
Semester: summer
Points: summer s.:3
E-Credits: summer s.:3
Examination process: summer s.:
Hours per week, examination: summer s.:0/3, MC [HT]
Capacity: unknown / unlimited (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
For type: Master's (post-Bachelor)
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Jirát Jiří Ing. Ph.D.
Interchangeability : N143014
This subject contains the following additional online materials
Annotation -
Last update: Hladíková Jana (04.01.2018)
During this course students learn and train advanced features of the most important chemistry and scientific databases; should acquire core knowledge of intellectual property rights and basics of scientific writing rules.
Aim of the course -
Last update: Hladíková Jana (04.01.2018)

Students will be able to:

Master advanced search techniques in chemical structure and reaction databases. Create complex queries in textual scholarly databases

Create basic habits for continuous research work and for research manuscript preparation (diploma thesis)

Master the techniques of scientific writing - follow typography rules of scholarly publications (typesetting math and chemical texts, language, chemical nomenclature)

Have insights into intellectual property protection: copyright, patents, trademarks etc.

Literature -
Last update: Svozil Daniel prof. Mgr. Ph.D. (29.10.2018)

R:Julakova, E., Rovnice, jednotky a veličiny - jak s nimi? Chem Listy 2005, 99 (4), 250-257.

A:Coghill, A. M.; Garson, L. R.; American Chemical Society, The ACS style guide : effective communication of scientific information. 3rd ed.; Amer. Chemical Soc.: Washington, 2006; p xiv, 430, 978-0-8412-3999-9.

A:International Union of Pure and Applied Chemistry; Cohen, R., Quantities, units and symbols in physical chemistry. 3nd ed.; Royal Soc. of Chemistry: Cambridge, 2007, 978-0-85404-433-7.

A:McNaught, A. D.; Wilkinson, A.; Jenkins, A.; Nic, M.; Jirat, J.; Kosata, B., IUPAC Compendium of Chemical Terminology - the Gold Book.

Learning resources -
Last update: Hladíková Jana (04.01.2018)

Teaching methods - Czech
Last update: Hladíková Jana (04.01.2018)

Přednášky ukazující pokročilejší využívání odborných chemických databází, práci s literaturou a zásady tvorby technické a odborné literatury. Současně samostatná práce studentů na projektu.

Requirements to the exam - Czech
Last update: Hladíková Jana (04.01.2018)


  • 50 % písemka
  • 50 % samostatný projekt

Syllabus -
Last update: Jirát Jiří Ing. Ph.D. (29.10.2018)

1. Terminology used in on-line systems. Logic. Proximity operators. Use in selected databases

2. SciFinder

3. Representation of chemical structures, formats, graph theory

4. Structure and reaction searching in SciFinder and Reaxys I

5. Structure and reaction searching in SciFinder and Reaxys II

6. Registered IP (patents, utility models, trademarks, registered design)

7. Registered IP - databases: Espacenet, Czech Industrial Property Office databases

8. Scientific work. Work with scientific information. Open Access. Bibliographic databases

9. Literature research methods. Reference managers. Scientometry. How to write your diploma thesis

10. Advanced work with reference manager

11. Thesis - copyright, structure

12. Typesetting: equations, units, chemical nomenclature. Typesetting tables, figures, lists, texts

13. Typesetting scientific texts

14. Assessment test

Registration requirements -
Last update: Hladíková Jana (04.01.2018)

Chemical Informatics

Course completion requirements -
Last update: Jirát Jiří Ing. Ph.D. (09.02.2018)

Combination of individual project and written test

Teaching methods
Activity Credits Hours
Obhajoba individuálního projektu 1 28
Příprava na zkoušku a její absolvování 0.5 14
Účast na seminářích 1.5 42
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