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In Silico Insights: Mastering Chemoinformatics


About This Course

Welcome to our Micro-MOOC, "In Silico Insights: Mastering Chemoinformatics" This course is your introduction to the captivating world of computational chemistry, focusing on the innovative field of in silico testing to understand the intricacies of chemical compounds.

This learning journey will introduce you to the fundamental principles and cutting-edge techniques that make up chemoinformatics, with a focus on in silico assays. We will explore such important topics as virtual screening, molecular docking and quantitative structure-activity relationship (QSAR). Our aim is to demystify these concepts through simple explanations and practical examples, making complex ideas accessible to all.

Led by our team of experienced lecturers, each section of the course is designed to be interactive and includes engaging activities, simulations and real-life case studies. This approach is designed not only to provide you with theoretical knowledge, but also to equip you with practical skills applicable to chemoinformatics. Our course is tailored to a broad audience, including students starting their scientific journey, researchers looking to deepen their expertise, and professionals looking to use computational chemistry in their work.

This micro-MOOC serves as a bridge to understanding the powerful techniques of in silico assays and their transformative impact on drug discovery, molecular modeling, and beyond. Regardless of your geographic location or academic background, we welcome you to join our community of learners. Together, we will unlock the secrets of in silico testing and harness the opportunities it presents to push the boundaries of chemistry.

This course is a component of the EU-funded project “STEM Continuous Professional Development at European Universities – STEM-CPD @EUni”. Upon successful completion, participants will be awarded a corresponding certificate.

Course Staff

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Dina Khasanova


Course Staff Image #1

Leonardo Raso


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Vladimir Kozyrev



No special requirements.

Intended Learning Outcomes

  • A participant will be able to understand chemoinformatics basics, including its role in drug discovery and molecular modeling.
  • A participant will be able to apply virtual screening, molecular docking, and QSAR techniques in chemoinformatics tasks.
  • A participant will be able to analyze and critically evaluate data from in silico assays.


#Chemoinformatics,#In silico assays,#Virtual screening,#Molecular docking,#QSAR analysis,#Computational chemistry,#Drug discovery,#Molecular modeling,#Data analysis,#Practical applications