SubjectsSubjects(version: 953)
Course, academic year 2023/2024
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Chemical Informatics - MC270P10
Title: Chemická informatika
Guaranteed by: Department of Organic Chemistry (31-270)
Faculty: Faculty of Science
Actual: from 2022 to 2023
Semester: summer
E-Credits: 3
Examination process: summer s.:
Hours per week, examination: summer s.:1/1, C [HT]
Capacity: unlimited
Min. number of students: 3
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Additional information:
Note: enabled for web enrollment
Guarantor: doc. RNDr. Jindřich Jindřich, CSc.
Teacher(s): doc. RNDr. Jindřich Jindřich, CSc.
Incompatibility : MC200P01, MC230P22
Is incompatible with: MC270P10M, MC200P01, MC230P22
Is interchangeable with: MC270P10M
Annotation -
Communication in chemistry: molecular visualization tools and Internet sites; chemistry newsgroups and discussion lists; science writing aids (software); the publication process - primary, secondary, and tertiary sources. How and where to start: guides to chemical information sources and databases; general information on computer searching; current awareness, reviews, and document delivery; background reading: dictionaries, encyclopedias, and other books; introduction to Chemical Abstracts (SciFinder), Beilstein (Reaxys), Web of Science.
Last update: Jindřich Jindřich, doc. RNDr., CSc. (08.05.2012)
Literature -

All materials needed to complete the course are available at for the students signed for the course.

Last update: Jindřich Jindřich, doc. RNDr., CSc. (01.06.2018)
Requirements to the exam -

To complete the course, a student has to fulfill the following:

- sign into the online course on

- solve in time an assignment for every lecture (once a week) to at least 60 %

- solve the final online test, to at least 60 %

Last update: Jindřich Jindřich, doc. RNDr., CSc. (01.06.2018)
Syllabus -

1. Visualization using HTML, basics of HTML, data file formats, web browsers and plugins. E-mail discussion groups.

2. Tools to create scientific documents - Overview of software used for the creation of scientific publications. Publication process - definition of terms primary, secondary and tertiary literature, bibliographic databases.

3. Guides to chemical resources (Database summary sheets, search servers). Computer searching (search servers, relational databases, basics of SQL).

4. Current awareness, e-mail alerts, online journals, bibliographic databases (Web of Science), documents delivery. Dictionaries, encyclopedia, tables.

5. SciFinder. How to use software to access CAS databases - CA Plus, Registry, ...

6. Reaxys - basics of compounds search. 

7. Zotero - personal bibliographics database.

8. Patents. Definition, conditions for assignment, protection of rights, patent databases. Toxicological information. Safety data sheets (MSDS), toxicological databases (Toxnet, HSDB).

10. Command line - MS Windows. Basics of batch scripts.

11. How to prepare PowerPoint presentations. Organization of material for visual presentation, the layout of presentation.

12. Cambridge Structural Database.

13. Final online test.

Last update: Jindřich Jindřich, doc. RNDr., CSc. (01.06.2018)
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