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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: