Blog

Dr. Igor Tetko is visiting the chair

Uko Maran

On Thursday, September 4, 2025, Dr. habil. Igor Tetko will give a lecture at the University of Tartu Institute of Chemistry titled “Tox24 Challenge: An In-Depth Analysis of Modern Artificial Intelligence Methods for Accurate Prediction of Transthyretin Binding.”

Dr. Tetko is one of Europe’s leadin...

A multicomponent QSPR approach to describe and predict the distribution of organic solutes in gas-ionic liquid environments using machine learning

Uko Maran

Ionic liquids are used as green solvents, which make accurate predictions of gas–ionic liquid partition coefficients (log K) of organic solutes important from the perspective of various industrial applications. An ionic liquid with an interacting organic solute is a multicomponent system that is usu...

Moving towards making (quantitative) structure-activity relationships ((Q)SARs) for toxicity-related endpoints findable, accessible, interoperable and reusable (FAIR)

Sulev Sild

(Quantitative) structure-activity relationships ((Q)SARs) are widely used in chemical safety assessment to predict toxicological effects. Many thousands of (Q)SAR models have been developed and published, however, few are easily available to use. This investigation has applied previo...

Week of PARC in Tartu

Uko Maran

The week of June 9, 2025 can be considered a PARC (Partnership for the Assessment of Risks from Chemicals) week in Tartu. Namely, two high-caliber PARC events took place during the week.

The first of these was the PARC Modelers' Meeting, which took place from June 9-11, 2025. The PARC Modelers...

Lisette's Bachelor's Thesis Defence

Sulev Sild

We are happy to share that Lisette Pihor, a bachelor's student in our research group, has successfully defended her bachelor's thesis titled "Feature Selection for Evaluating Acute Toxicity with Neural Networks" on 12 June 2025 at the Institute of Computer Science at the University of Tartu. Lisette...