Basics of Chemical Informatics

Daten

Offizielle Daten in der Fachveröffentlichung für das folgende akademische Jahr: 2019-2020

Thematik

The aim of the course is to give the students a basic knowledge of chemical informatics. An overview of how computers have become the indispensable tools for chemical experiments, measurements, regulatory and performance evaluation tasks, and theoretical chemistry tests.
We cover the chemical sciences from used software, web resources, which we believe are most useful during academic years in chemical science student work and in preparing theses. Students can learn the basics of molecular modeling, the use of databases available in the University (ScienceDirect, PubMed, SciFinder ...), the general steps of the search.

Vorlesungen

• 1. Introduction, simple database managers (literature, citations, etc.) in chemistry. - Dr. Kulcsár Győző Kornél
• 2. Introduction into the Molecular Modeling Software’s - Dr. Kulcsár Győző Kornél
• 3. Molecular modeling - structural fundamentals - Dr. Kulcsár Győző Kornél
• 4. Molecular modeling - structure optimization - Dr. Kulcsár Győző Kornél
• 5. Molecular modeling - molecules and interaction with the surroundings - Dr. Kulcsár Győző Kornél
• 6. Molecular modeling - molecular Interactions - Dr. Kulcsár Győző Kornél
• 7. Molecular modeling - applied modeling in drug research - Dr. Kulcsár Győző Kornél
• 8. Chemical databases I. - Dr. Kulcsár Győző Kornél
• 9. Chemical databases II. - Dr. Kulcsár Győző Kornél
• 10. Using a text editor application in chemistry - Dr. Kulcsár Győző Kornél
• 11. Handling bibliography - Dr. Kulcsár Győző Kornél
• 12. Apply a spreadsheet program in chemistry - Dr. Kulcsár Győző Kornél
• 13. Apply a vector drawing program. Creating a flowchart of science, chemical content and flow charts. Photos and videos in chemistry, the basics of image processing. - Dr. Kulcsár Győző Kornél
• 14. Presentation of student results, evaluation of the semester - Dr. Kulcsár Győző Kornél

Praktika

Seminare

Materialien zum Aneignen des Lehrstoffes

Obligatorische Literatur

Vom Institut veröffentlichter Lehrstoff

The worksheets will be handed on the seminars.

Skript

Empfohlene Literatur

https://docs.chemaxon.com/display/docs/MarvinSketch+User%27s+Guide
http://www.cambridgesoft.com/support/DesktopSupport/Documentation/Manuals/files/chemdraw_9_english.pdf

Voraussetzung zum Absolvieren des Semesters

Maximum of 25 % absence allowed

Semesteranforderungen

Acknowledgement of the course is in accord with the Code of Studies and Examinations. Participation in the lectures is obligatory. Maximum three absences can be accepted.

Möglichkeiten zur Nachholung der Fehlzeiten

There is no opportunity to make up missed classes.

Prüfungsfragen

Written test covering the topics of the lectures.

Prüfer

Praktika, Seminarleiter/innen