About

Molecular technology is an interdisciplinary and transdisciplinary scientific field based on fundamental sciences. Molecular technology is based on chemistry combining physics, biology, medicine, information technology etc. and it is applied in many high-tech fields.

People

The staff of the chair has a good balance between youthful enthusiasm and experience in scientific life.

MT-Qtool

Qsardb

QsarDB is a digital and smart repository for QSAR models and data. QSAR models, or quantitative structure-activity relationships, are created using machine learning (ML) and artificial intelligence (AI) methods. QsarDB applies FAIR (Findable, Accessible, Interoperable, Re-usable) principles to ensure free access and long-term data preservation. QsarDB covers various application and research areas of the QSAR community in chemical science, medical and health sciences, biological science, environmental science, agricultural and veterinary science, and material science.

Projects

The researchers of the chair have a long-term experience of participating in international cooperation projects and networks:

  • European Union framework programs
  • European Union cooperation networks
  • Industrial agreements

We are also active in applying for domestic financial instruments:

  • Estonian Research Agency
  • Other national knowledge-intensive research programs

News

Orienteering Competition at the Institute of Chemistry Summer Days

Mare Oja and Sulev Sild represented the chair in one of the participating teams at the orienteering competition held during the Summer Days of the Department of Chemistry and won first place.

The Summer Days of the Institute of Chemistry took place in Kubija, on August 26–27. One highlight was an...

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Machine learning-assisted QnSPR study of structurally diverse nanoporous carbon materials and their capacitive behavior in dilute ionic liquid electrolyte

In the development of efficient energy storage solutions, it is important to understand the relationship between electric double-layer (EDL) capacitance and the structural properties of electrode materials. Using machine learning, 67 nanoporous carbon materials, characterized with determined origina...

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Classification of Thyroid Peroxidase (TPO) Inhibitors Using Transfer Learning with SMILES Embeddings

Thyroid hormones (THs) regulate many processes in mammals and, therefore, affect every organ in the body. Thyroid peroxidase (TPO) is an essential enzyme for the successful biosynthesis of THs. Although TPO inhibition is a well-documented molecular initiating event (MIE) in thyroid hormone system di...

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Prof Dr Katarina Nikolić visited the study chair

As part of a long-term and ongoing collaboration on the development of multi-target inhibitors of genetic and epigenetic pathways, the Chair was visited by Dr. Katarina Nikolić, Full Professor of the Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Belgrade.

This collabor...

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