Course overview for the main course in Pharmaceutical Bioinformatics

Learning Outcomes

The course provides introduction to the area of chemobioinformatics in relation to drugs, omics, chemical biology, protein function, and biomedicine, and includes databases, sequence analysis, proteins and their interactions, chemical descriptions of proteins and organic compounds, data modeling, QSAR modeling, proteochemometrics modeling, drug discovery and development, and use of chemobioinformatics software.

After a successful completion of the course you will be able to:

  • Understand and describe how chemobioinformatics tools can be used in biomedical and pharmaceutical research.
  • Use bio- and chemoinformatics programs for sequence alignment, 3D visualization, and structure-activity relationship modeling, including proteochemometrics, and seek relevant information in biological and chemical databases.
  • Calculate the chemical properties (descriptors) of drugs and target proteins, and correlate these to biological activities through chemobioinformatics modeling.
  • Apply experimental design to increase the outcome of your experiments at reduced cost and reduced experimental effort.
  • Interpret and validate the results of above-mentioned methods, using free open source software.
  • Course Contents

  • Introduction to Pharmaceutical Bioinformatics
  • Pharmaceutical Bioinformatics – a Course Overview
  • Representing Molecules in Computers
  • Databases in Pharmaceutical Biosciences
  • Statistical Experimental Design
  • Structure Descriptors, Physical and Chemical Descriptors
  • Macromolecular Descriptors
  • Alignments in Bioinformatics
  • Representation of 3D structures
  • Methods for Data Analysis
  • QSAR and Proteochemometrics
  • Validation of Models
  • Lead Identification and Optimization
  • Tutorials and Exercises
  • Instructions

    Teaching is conducted via audiovisual presentations, written lecture notes, and downloadable materials. Each lecture is accompanied with exercises/assignments, which are checked by the teacher who gives individual feedback to each student. Communication between the participants and teachers takes place on a web-based teaching platform, and via email. The web-based platform is also utilized for group exercises, discussions and assignments. The participants have contact with the teachers online throughout the course and can ask questions and get clarifications.


    Written examination takes place through the website after successful completion of the mandatory assignments.

    Course literature

    Introduction to Pharmaceutical Bioinformatics, Wikberg at al., 2018, Oakleaf Academic Publishing House. The book can be ordered here.

    Other materials and software is available for downloading during the course for complementary purpose.

    Copyright © Pharmaceutical Bioinformatics (2020)