Lead Designer allows anybody to access pharmacological information about small molecules in Real-Time. The application is based on a new molecule sketcher, which automatically calculates different molecule properties on the fly. The molecule sketcher takes advantage of intuitive touch-pad interactions and automatically applies chemical structure rules to make molecule drawing easy, fast and fun. Lead Designer is supposed to reach people working in drug discovery and development to facilitate their decision taking process based on computational prediction and molecular information.
The current version of Lead Designer offers:
- Cytochrome P450 3A4 binding prediction (regression QSAR model)
- Easy and fast molecule sketching of drug like molecules based on intuitive touch-pad interactions
- Automatic ring aromatization (Molecule Sketching)
- Instantaneous 2D molecule structure optimization (Molecule Sketching)
- Calculation of physico-chemical properties
- Save your 20 favorite molecules
- Copy your molecule to the clipboard
Tell us what type of information you would like to have in Lead Designer by sending an email to [email protected]
- new > BBB model
9Apps 4.9
