Ouroboros is a list of bioinformatic tools for drug discovery.
Ouroboros contains the following tools:
Ouroboros-ChemicalMigration:
Specify a starting molecule and a target molecule, and get the migration path between them.
Ouroboros-ChemicalExploration:
Given an initial molecular structure, Ouroboros can navigate chemical space under defined transformation rules.
Ouroboros-ChemicalFusion:
Ouroboros can traverse between two sets of molecules with different properties/targets to explore novel molecules combining their pharmacophoric features, guided by user-specified property predictors.
Ouroboros-PropPredictor:
Submit compound SMILES to Ouroboros for batch property prediction using either the public predictor library or custom predictors via a private key.
Ouroboros-PropModeling:
Ouroboros uses QSAR modeling for virtual screening and de novo molecular design. Upload a CSV with SMILES and labels to integrate custom predictors, and receive a private key for future model use.
Ouroboros-VirtualScreening:
Ouroboros encodes molecular conformational space into vectors for similarity-based virtual screening. Provide grouped reference molecules and assign weights to guide screening for novel structures. Specify molecular property predictors to include properties in screening results, with normalized prediction values (0-1) for public predictors.
Ouroboros-VirtualADMETPanel:
By submitting a collection of SMILES compounds, ouroboros can batch process ADMET property prediction tasks. You can get the results of all our ADMET property predictors and their accuracy.
For more information, click the links above to read the descriptions and access the tools.
