Harness the power of the Similarity Ensemble Approach (SEA), now using your own custom reference libraries with statistical models tailored for your proprietary chemistry on your in-house target annotations.
License - 1 machine instance for an internally deployed Graphical SEA Tool.
- Includes all Primary and Professional capabilities and use cases.
- Construct proprietary SEA Reference Library files from internal or external federated libraries of compound-target-affinity data, which may also be used by Tier 2 users within the same organization.
- Input: (1) Molecular structures (SDF or SMILES) with unique identifiers; (2) Target file with listing active molecules & affinities (SDF or CSV).
- Output: SEA Reference Library file.
- Contains fingerprinted compound/target data for calculation.
- Contains auto-calculated statistical background model.
- Supported SEA Reference Libraries: All public, academic, and custom/proprietary datasets.
- Supports ability to import one’s own molecular descriptors, or automatically generate internal ones (via RDKit), for use with SEA.
- Full command-line interface for rapid use.
- Operating System: Windows XP/7.
- Minimum RAM - 1 GB.
- Compound target-affinity data from the custom library prepared in a simple standardized input format, as described.
Expected use case
1 to 10,000+ compounds at a time against proprietary target or assay panels. Find mechanism of action, or avoid toxicity liabilities downstream for an entire campaign against a proprietary target panel.