Investigation of structures similarity of organic substances
- Ajay Kumar
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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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- Investigation of structures similarity of organic substances
Volume 16, Issue 1 , pp 61-64
- Cover Date
- Print ISSN
- Online ISSN
- Additional Links
- Structures similarity
- Tanimoto coefficient
- Euclidean distance
- fingerprints (bit-string representations)
- Industry Sectors
- Ajay Kumar (1)
- Author Affiliations
- 1. Guru Tegh Bahadur Institute of Technology, G-8 Area, Rajouri Garden, New Delhi, 110064, India