LFU:online

Chemoinformatics - knowledge based approaches in chemistry and drug design

This lecture will give an overview on modern computer-aided methods for chemical design, as used in all larger pharmaceutical, agrochemical and general fine-chemistry companies. Goal of the lectuer is to introduce students to teh basic concepts of data analysis, virtual screening, chemoinformatics, docking/scoring, structure-based design and machine learning.

Chemoinformatics, molecular descriptors, chemical similarity, virtual screening, docking/scoring, structure-based design, chemical databases, experimental uncertainty

lecture

oral

Will be discussed in the first lesson.