HitGen uses a range of commercial and open source cheminformatics tools to support better chemical decisions. As the leadership of DNA encoded library and hit identification platform, we have established a series of capabilities to support our platform to handle DEL design, synthesize, selection and follow up hit optimization in a time- and space-efficient way.
Well established cheminformatics workflow to do data driven library design and building block selection
Physicochemical property filters, fingerprint clustering and diversity analysis are used to evaluate our proprietary libraries or design new high-quality DNA encoded library
∼1012 DEL compound structure enumeration, storing and fast 2D similarity search
Track the experimental information in the library synthesis and the affinity selection to maximize scientific productivity and enhance the overall quality of DELs
DEL selection data mining for data-driven feature identification and hit proposal
DEL selection data for QSAR model building to predict new compound affinities or activities