Based on X-ray structures and/or known active ligands, our computational and medicinal chemistry experts perform a pharmacophore-based virtual screening to identify new hits for a biological target or a specific mechanism. This service has been designed as a product (SaaP) and includes the following tasks:
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Literature/project search and analysis |
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Pharmacophore model generation, optimization and validation |
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Virtual screening with several and specific compound databases (10+ Mio) |
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Virtual hit analysis and selection for biochemical evaluation |
Our innovative solution is aimed at solving the difficulty of finding a new starting point and allow customers to save time and money by avoiding medium or high-throughput screening (HTS). From our experience, hit rate is raised by 20%.