XVIII Научная молодежная конференция «Проблемы и достижения современной химии»
Compute Properties of the chemical structuress
Features:
- Property prediction for chemical compounds based on their 2D structures.
- Calculation of contribution of arbitrary atoms set on the selected property.
- Medicinal chemistry projects and development of novel agents (antiviral agents, anti-aggregants, etc)
- Ligand- and structure-based drug design
- QSAR modeling - analysis of properties of single compounds and their mixtures