Shape-based similarity searching in chemical databases
โ Scribed by Finn, Paul W.; Morris, Garrett M.
- Book ID
- 120002521
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2012
- Tongue
- English
- Weight
- 346 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1759-0876
No coin nor oath required. For personal study only.
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## Abstract Finding a set of molecules, which closely resemble a given lead molecule, from a database containing potentially billions of chemical structures is an important but daunting problem. Similar molecular shapes are particularly important, given that in biology small organic molecules frequ
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