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Natural product likeness calculator download for Windows

Free download Natural product likeness calculator Windows app to run online win Wine in Ubuntu online, Fedora online or Debian online

This is the Windows app named Natural product likeness calculator whose latest release can be downloaded as Natural_Product_Likeness_calculator_2.1.zip. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named Natural product likeness calculator with OnWorks for free.

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- 6. Download the application and install it.

- 7. Download Wine from your Linux distributions software repositories. Once installed, you can then double-click the app to run them with Wine. You can also try PlayOnLinux, a fancy interface over Wine that will help you install popular Windows programs and games.

Wine is a way to run Windows software on Linux, but with no Windows required. Wine is an open-source Windows compatibility layer that can run Windows programs directly on any Linux desktop. Essentially, Wine is trying to re-implement enough of Windows from scratch so that it can run all those Windows applications without actually needing Windows.

Natural product likeness calculator


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DESCRIPTION

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.

Maven dependancy:

<dependency>
<groupId>uk.ac.ebi.cheminformatics</groupId>
<artifactId>NP-Likeness</artifactId>
<version>2.1</version>
</dependency>

Required repository:

<repositories>
<repository>
<id>ebi-repo</id>
<name>EBI maven repository</name>
<url>http://www.ebi.ac.uk/~maven/m2repo</url>
<snapshots>
<enabled>false</enabled>
</snapshots>
</repository>
</repositories>

Latest version of the project is available here in our GIT repo https://github.com/CS76/NP-Likeness



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
  • SDF and SMILES for I/O
  • Use your own in-house training set to calculate scores


Programming Language

Java



This is an application that can also be fetched from https://sourceforge.net/projects/np-likeness/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


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