Investigation of structures similarity of organic substances |
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| Authors: | Ajay Kumar |
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| Institution: | 1.Guru Tegh Bahadur Institute of Technology,New Delhi,India |
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| Abstract: | According to similarity property principle, structurally similar molecules tend to have similar properties. Similar molecules
exhibit similar biological activities. However, there is no hard and fast rule that the compounds with similar chemical structure
will have similar functions. There are several compounds of similar chemical structure with significantly different biological
actions and activities. Structure similarity of natural products can be investigated using Tanimoto coefficient and Euclidean
distance measurements. To do this, the molecules are decomposed into smaller fragments, and a dictionary, of the fragments
are prepared. Using the dictionary, 2D fingerprints are formed. With the fingerprints Tanimoto coefficient and Euclidean distance
are quantitated. |
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