Field of research
The laboratory conducts research in the following areas: interaction modeling in protein ligands, toxicity predicting, and QSAR modeling. The laboratory has engineered and implemented Smart Mining - a unique software system for studies in computational chemistry. The laboratory employs Kohonen artificial neural networks to predict specific target activity of compounds and their characteristics, such as CYP3A4 (Cytochrome P450) binding, hematoencephalic barrier permeation, plasma protein binding, acute toxicity, plasma half-life, etc.
Head of laboratory