Computational Chemistry / Cheminformatics
Chemistry Services Sheet
In order to speed up the drug discovery process, our modeling group utilizes various state-of-the-art technologies in all aspects of computer aided drug design and works closely with our medicinal chemists and biological scientists.
Structure-based Drug Design
- Docking and virtual screening
- Homology modeling
- De novo ligand growth and optimization
Ligand-based Drug Design
- Pharmacophore modeling and virtual screening
- QSAR
- Conformational analysis
In silico ADMET
- Fast prediction of physical properties, such as solubility, logP, pKa, logD and permeability
- Ligand-based or structure-based models for hERG and P450 enzymes
Web-based Data Management System
- Pharmaron’s proprietary CEDAR™ (Chemical Exchange, Data Access and Recall) "web-base" helps our customers review and retrieve the data generated at Pharmaron in an organized, chemically-intelligent way. The web-based system provides secure, 24/7 access to project information such as experimental procedures, E-Notes™ pages generated by our ELN system, reaction schemes, and analytical data centered on chemical structures of target compounds and their intermediates.