similarity-analysis-test.md

Testing scenarios

1. Open smiles.csv file

2. Open "Similarity analysis" dialog from Chem | Similarity Analysis

   • Dialog shows number of not not represent valid molecules
   • You can choose actions with not represent valid molecules (Filter, Select or Delete)

3. Click on "Select button

   • Rows with not represent valid molecules are selected

4. Click on "Filter button

   • Rows with not represent valid molecules are filtered

5. Click on "Delete button

   • Rows with not represent valid molecules are deleted from table

6. Click on "Re-Run button

   • Similarity analysis is performed
   • Columns "x" and "y" with coordinates are added to table
   • Scatter Plot added to table layout
   • Special column "~ RDKFingerprint" added to table

See also:

• Substructure search test
• Chem descriptors test
• Chem Sketcher Test