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Exploring the Influence of Ionic Liquid Anion Structure on Gas-Ionic Liquid Partition Coefficients of Organic Solutes Using Machine Learning

Uko Maran

Ionic liquids (IL) form a class of chemical compounds consisting of ions, they are considered organic salts characterized by their low melting point. These unique substances have remarkable properties, including exceptionally low vapor pressure, high polarity, and excellent thermal stability. These...

Congratulations Chemicum!

Uko Maran

On October 23, 15 years passed since the institute of chemistry moved to a new teaching and research building, including our study-chair. To celebrate this, a great party took place, where the study chairs of different institutes accommodated in the building prepared food related to their field and...

The research carried out in the chair was reflected in the description of the molecule of the week of October 14 of the American Chemical Society

Uko Maran

The natural dye lawsone (2-hydroxy-1,4-naphthoquinone) was chosen as the molecule of the week for October 14 of the American Chemical Society. Specifically, Alfonso T. García-Sosa's 2022 collaboration with Anne Robert and Michel Baltas at the Laboratoire de Chimie de Coordination du CNRS-UPR 8241...

Data-Driven Modelling of Substituted Pyrimidine and Uracil-Based Derivatives Validated with Newly Synthesized and Antiproliferative Evaluated Compounds

Uko Maran

The pyrimidine heterocycle plays an important role in anticancer research. In particular, the pyrimidine derivative families of uracil show promise as structural scaffolds relevant to cervical cancer. This group of chemicals lacks data-driven machine learning quantitative structure-activity relation...

Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders - a tool for identifying risks from chemicals

Uko Maran

An abnormal hormonal activity or exposure to endocrine-disrupting chemicals (EDCs) can cause endocrine system malfunction. Among the many interactions EDCs can affect is the disruption of estrogen signaling, which can lead to adverse health effects such as cancer, osteoporosis, neurodegenerative dis...