Code for 3D Structure Generation in ChemAxon

Molimporter mi = new Mollraporter( test.mol ) Molecule mol = mi.readO mi.close ()  

The Corina program can generate 3D coordinates for 2D structures rapidly [61] With the help of a 3D structure, it is possible to calculate energy of the molecule, volume, interatomic charge distribution, and other 3D descriptors required for quantitative structure-activity relationship (QSAR)-based predictive studies (Fig. 1.24). 

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