LFU:online

Department of General, Inorganic and Theoretical Chemistry Department of General, Inorganic and Theoretical Chemistry

Dr. Christian Kramer Dr. Christian Kramer

724970

Advanced Theoretical Chemistry

VO 2

2,5

weekly

not applicable

German

The goal of this year's lecture series of advanced theoretical chemistry is to familiarize attendants with chemical data analysis and prediction methods, ranging from Chemoinformatics to Machine Learning.

Contents are partly flexible and will be discussed during the first meeting. Generally, the idea of this lecture series is to provide attendants with scientific background of the theoretical chemistry that is application/industry relevant but usually not tought to Bsc/MSc studens. A rough collection of topics is listed below Basics: Chemoinformatics (Chemical file, pattern and reaction descriptions), Basic Statistics, Chemical Descriptors, Navigating High-Dimensional Spaces, Machine Learning Applications: A Statistical Theory of Compound Design (e.g. for Drug Discovery, Crop Science, Tool compounds etc.), Virtual Screening, Chemogenomics, QSAR/QSPR Modelling, ADME/Tox Modelling, Public Databases, Computational Synthesis Planning Topics will be designed according to attendants needs and interests.

Lecture. The lecturer hopes to get challenged so discussions will take place.

Verbal

Wikipedia. Everythign else will be provided/indicated during the lectures.

All questions (don't hesitate) should be adressed to Christian.Kramer@uibk.ac.at.