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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. Maven dependancy: <dependency> <groupId>uk.ac.ebi.cheminformatics</groupId> <artifactId>NP-Likeness</artifactId> <version>2.1</version> </dependency> Required repository: <repositories> ...
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Correlation Calculator
Calculates the correlation coefficient for 2 sets of numerical data.
Calculates the Pearson correlation coefficient for two sets of numerical data. The user has the option to add values to either set of data with the corresponding Add button or the ENTER key. In addition, the user can select one or more values from each list at a time to remove them to change the calculation. The clear button will remove all values from its corresponding list. Any questions, comments, concerns, bug reports, suggestions, etc. contact David at dxm3269@rit.edu.
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