Approaches to 3D Molecular Design

In this section we are aiming to classify the concepts for 3D structure design.  

In general, to solve the problem of obtaining energy-optimized 3D models of a molecule, one could define different criteria of achieving computational speed and/or structural accuracy. For example, one can reduce the time needed for the numerical calculations at the cost of simple (for the user) input or nonperfect algorithms 

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