Medicinal chemistry and bioinformatics Lab

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.

The laboratory was founded in 2012 as part of the Bio-Business Incubator project. 

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.

Jan A.Ivanenkov

Head of laboratory

Lomonosov Moscow State University

Institute of bioorganic chemistry

Institute of biochemistry and genetics, Ufa scientific center, Russian Academy of Sciences

Address
  • 204 KPM, MIPT, 9 Institutskiy per., Dolgoprudny, Moscow Oblast 141700