SubjectsSubjects(version: 947)
Course, academic year 2023/2024
Advanced Chemical Informatics - N143014
Title: Pokročilá chemická informatika
Guaranteed by: Department of Informatics and Chemistry (143)
Faculty: Faculty of Chemical Technology
Actual: from 2021
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 / unknown (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
Is provided by: M143001
For type:  
Guarantor: Jirát Jiří Ing. Ph.D.
Is interchangeable with: M143001
Examination dates   Schedule   
Annotation -
Last update: TAJ143 (03.12.2013)
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: TAJ143 (02.07.2013)

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: TAJ143 (02.07.2013)

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: Jirát Jiří Ing. Ph.D. (26.01.2016)

Teaching methods - Czech
Last update: Jirát Jiří Ing. Ph.D. (15.02.2010)

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: Jirát Jiří Ing. Ph.D. (26.04.2010)


  • 50 % písemka
  • 50 % samostatný projekt

Syllabus -
Last update: TAJ143 (02.07.2013)

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

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

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

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

8. Advanced work with reference manager

9. Thesis - copyright, structure

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

11. Typesetting scientific texts

Registration requirements -
Last update: TAJ143 (02.07.2013)

Chemical Informatics

Teaching methods
Activity Credits Hours
Práce na individuálním projektu 1 28
Příprava na zkoušku a její absolvování 0.5 14
Účast na seminářích 1.5 42
3 / 3 84 / 84
Coursework assessment
Form Significance
Defense of an individual project 50
Examination test 50