Spatial statistics on voxelized structures using FFT correlations and PCA yield low-dimensional convex features that support accurate predictions with as few as 10 training samples.
A Universal 3D V oxel Descriptor for Solid-State Material Informatics with Deep Convolutional Neural Networks.Scientific Reports, 7(1):16991, December 2017
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Spatial statistics for screening molecular structures
Spatial statistics on voxelized structures using FFT correlations and PCA yield low-dimensional convex features that support accurate predictions with as few as 10 training samples.