Molecular Screening of High-Energy Nitrocompounds

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Abstract
An effective method for the molecular screening of compounds within a particular range of formation enthalpies has been developed; this approach is identical to the classification problem and is handled by the method of logical correlations, the inclusion of a substance in a given range of enthalpies being determined by the presence of informative local features in the structural topology of the compound; the high predictive ability of the method is demonstrated by the screening of high-energy nitrocompounds.

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