| 摘要 |
A molecular similarity evaluation method has steps of: (a) obtaining an upper threshold and a lower threshold from one of a value specific to an atom included in a first molecule, a value specific to an atom included in a second molecule of which correlation with respect to the atom in the first molecule is to be evaluated, or another value obtained from these values; (b) calculating the correlation between the atom in the first molecule and the atom in the second molecule, using the upper and lower thresholds; and (c) evaluating the similarity between the first and second molecules based on the correlation obtained in the step (b). |
