Exploration of automatic learning to establish relationships between the molecular structure of chiral ionic liquids and the specific optical rotation
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DOI: 10.1016/j.molliq.2018.01.086
Abstract: Abstract The experimental assignment of absolute configurations of chiral compounds is generally expensive and time consuming. Theoretical prediction of optical rotations can greatly assist in this endeavor. Herein a chemoinformatics exploration is reported to automatically… read more here.
Keywords: chiral ionic; relationships molecular; rotation; optical rotation ... See more keywords