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Education

Basics of Chemical Informatics

Data

Official data in SubjectManager for the following academic year: 2019-2020

Course director

Number of hours/semester

lectures: 14 hours

practices: 0 hours

seminars: 0 hours

total of: 14 hours

Subject data

  • Code of subject: OXF-SKI-r-T
  • 1 kredit
  • Pharmacy
  • Optional modul
  • spring
Prerequisites:

OHA-S1E-T completed

Course headcount limitations

min. 3 – max. 15

Topic

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.

Lectures

  • 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

Practices

Seminars

Reading material

Obligatory literature

Literature developed by the Department

The worksheets will be handed on the seminars.

Notes

Recommended literature

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

Conditions for acceptance of the semester

Maximum of 25 % absence allowed

Mid-term exams

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.

Making up for missed classes

There is no opportunity to make up missed classes.

Exam topics/questions

Written test covering the topics of the lectures.

Examiners

Instructor / tutor of practices and seminars

Rólunk