Pharmacophore Modeling

Pharmacophore modeling is a powerful method to rapidly identify new potential drugs. For the numerous therapeutically relevant drug targets with undetermined active site geometries, pharmacophore modeling provides an effective mechanism for virtual screening. Using proven pharmacophore methods, researchers can achieve astounding results from limited data. Catalyst, the most cited and successful collection of pharmacophore modeling tools, has been re-engineered for improved usability in Discovery Studio ®

Pharmacophore Modeling in Discovery Studio 2.0 includes:

• Experimentally accurate pharmacophore model generation methods
• Advanced analysis tools that allow you to cluster features into interactive dendrograms
• Fast and reliable 3D database building and searching
• Top-ranked conformational generation algorithms optimized for various classes of small molecules
• Information-rich geometric descriptors to accelerate and add chemical diversity to queries
• Cutting-edge methods for fragment-based design and structure-based pharmacophore generation