ZBH - Center for Bioinformatics

Info! Dear User, due to construction works in the vicinity of our institute on 2021-05-06 and 2021-05-07, services might be unavailable. We apologize for any inconvenience.

A network error occured. Please click on the reload button. If this error continues, contact smartsview[at]zbh.uni-hamburg.de

Create an easy to comprehend visualization for your SMARTS expression
Compare two SMARTS expression with respect to subset relation (Does expression A match whenever B matches?) or similarity and receive a visualization of the node mapping
Visualization Mode:
Visualization of Default Bonds:
Legend Options:
More Options:
Compare Options:
Aromaticity Handling:
Create an easy to comprehend visualization for your SMARTS expression
Compare two SMARTS expression with respect to subset relation (Does expression A match whenever B matches?) or similarity and receive a visualization of the node mapping
Visualization Mode:
Visualization of Default Bonds:
Legend Options:
More Options:
Compare Options:
Aromaticity Handling:
Search with your SMARTS expression in a series of published pattern catalogs like PAINS for similar ones
Visualization Mode:
Visualization of Default Bonds:
Aromaticity Handling:
Compare Options:
Compare Filter Sets:
Given two molecule sets P (positive) and N (negative), create a frequent or contrast SMARTS expression matching at least p% of the molecules from P (positive support) and at most n% from N (negative support).
Set P of molecules which should be matched. Valid file formats are .sdf, .mol2, .smi, and .smiles.
Percentage of molecules from P which should at least be matched (p%)
Set N of molecules which should not be matched. Valid file formats are .sdf, .mol2, .smi, and .smiles.
Percentage of molecules from N which should at most be matched (n%)
Filter Method
Default search strategy. Enumerate small and large patterns.
Size based search strategy. Prefer small patterns.
Enumerate patterns by positive support.