The input of almost every machine learning algorithm targeting the properties matter at atomic scale involves a transformation list Cartesian coordinates into more symmetric representation. Many most popular representations can be seen as an expansion symmetrized correlations atom density, and differ mainly by choice basis. Considerable effort has been dedicated to optimization basis set, typic...

Fig. 1-1. A, Clinical mirror image of patient’s left tongue demonstrates a 2.5 2-cm well-delineated plaque with a yellow hue and subtle verrucous architecture. Located anteriorly on the lateral border of the tongue is a homogenous leukoplakia. B, Clinical image of patient’s left tongue 1 week after biopsy. Biopsy was taken from the center of the leukoplakia and the anterosuperior margin of the ...