Computational Chemistry

• Cheminformatics
• Ligand-based Design
• Structure-based Drug Design
• Physical Properties Profiling (EVOseek™)
• Analog-by-catalog
• Virtual Screening
• QSAR Modeling

Computational chemists work closely with our medicinal chemists, applying ligand and structure-based methods, ensuring the effective design of new analogs based on existing or alternative scaffolds.

Working with the best available commercial and in-house developed software tools, rational design is applied for each project and used in our hypothesis-driven, multiparameter optimization process.

Proprietary software (EVOseek™) acts as our informatics platform and is used for mining screening data and analyzing SAR, allowing chemists easy access to physical property calculations and rule-based alerts to enhance hit-series and the lead optimization process.

For more information, please contact us at info@evotec.com