Tier 3

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.

Capabilities

Library design
  • 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.

Requirements

  • 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.


Purchase
Yearly
$4,395.00 $11,900.00 $34,900.00