 | Natural product likeness calculatorHandy instrument for calculating the Natural Product likeness |
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Natural product likeness calculator Ranking & Summary
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- License:
- Freeware
- Publisher Name:
- Kalai Vanii Jayaseelan
- Operating Systems:
- Windows All
- File Size:
- 15.5 MB
Natural product likeness calculator Tags
Natural product likeness calculator Description
Natural product likeness calculator is a command line application that can help you calculate the NP-likeness(natural product) of certain molecules. NP-likeness is a useful criterion to screen compound libraries and to design new lead compounds. Main features: Check for redundant structures in the dataset Standardization of molecules (Removing counter ions and metals) Remove linear and ring sugars Generate atom signatures Calculate natural product likeness of a given molecule based on available open data of natural products
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