From: Le-Ha D. <l....@un...> - 2012-02-15 11:59:37
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To whom it may concern, I would like to calculate this descriptor: FPSA-3 However, the decriptorValue.xml file showed: <qsar:descriptorvalue index="11" label="FPSA-3" value="NaN"/> How can I get the value vor FPSA-3? I entered the molecules using SMILES and SDF. Thanks for your help! regards, lea |