Natural product likeness calculator 1.3

Company: Kalai

Date Added: August 25, 2013 | Visits: 331

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Calculates Natural Product(NP)-likeness of a molecule, i.e. the similarity of the molecule to the structure space covered by known natural products. NP-likeness is a useful criterion to screen compound libraries and to design new lead compounds. Features + Check for redundant structures in the dataset + Standardisation 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

Requirements: No special requirements

Platforms: Mac, Mac OSX

Keyword: Counter, Dataset, Linear, Metals, Molecules, Redundant, Remove, Removing, Standardisation, Structures

Users rating: 0/10

License: Shareware

Size: 15 MB

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