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Find Pockets
Get Seed Compounds
Extend Compound Set
Get Compound Geometries
Full Pipeline
Output Examples
BDR4 Pockets
BDR4 Seed Ligands
BDR4 Extended Ligands
BDR4 Ligand Structures
BDR4 Full Pipeline
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Define your target molecules:
Type of input provided:
Code
SMILES
InChI
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Get most similar compounds
Get compunds by Tanimoto Threshold
Insert Tanimoto threshold or Number of similar compounds to retrieve:
Filter by physicochemical properties
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Filter by LogP range
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10
Filter by HB Donors range
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50
Filter by HB Aceptors range
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50
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