Universität Wien

270037 VO Cheminformatics (2012S)

1.00 ECTS (1.00 SWS), SPL 27 - Chemie

Vorbesprechung für die Wahlmodulgruppe Theoret. Chemie, Mo 05.03.2012, 12 Uhr c.t., 1090 Währinger Straße 38, HS III.

Termin: Dienstag 17:00-20:00
Ort: Seminarraum des Instituts für Theoretische Chemie, Währingerstr. 17, EG, 1090 Wien
Moodle

Details

Language: German

Examination dates

Lecturers

Classes

Currently no class schedule is known.

Information

Aims, contents and method of the course

Chemoinformatics applies computational methods to tackle chemical problems efficiently. Particular emphasis lies on the representation, storage and manipulation of chemical structural information. The following topics of chemoinformatics will be presented in the lecture: representation, manipulation and storage of molecules and reactions in the computer; synthesisplanning; calculation of molecular descriptors; construction of mathematical models such as Quantitative Structure-Activity Relationships (QSAR); molecular similarity and similarity search; combinatorial chemistry, library design and virtual screening;
Oral exams

Assessment and permitted materials

Minimum requirements and assessment criteria

Overview of chemoinformatics methods and applications.

Examination topics

Reading list

Association in the course directory

TC-1

Last modified: We 19.08.2020 08:06