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19 COSMOsim calculations: The COSMOfrag input generator can also be used to submit molecular similarity calculations based on -profiles (COSMOsim). Just specify the SMILES or the molecular structures and choose the COSMOsim checkbox, where you can define the number of target molecules (ntarget) and the maximal number of closest hits (nbest), please refer also the COSMOfrag manual for details: