Friday 29th of March 2024
 

Structural Library of Natural Compounds



Natural products with biological activity are of considerable interest to drug discovery community and a structural library of such compounds serves as data set for insilico experiments to predict the target specific activity before screening them in in-vitro experiments. This work leverages open source scientific tools to create a database of such compounds library in Structure Data Format with 3D coordinates which in turn may be used as an input file for various applications.

Keywords: Natural Product library; SD file; ChemSketch; Open Babel

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