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We assembled a list of ICSD compounds not in the OQMD by first identifying all 92,756 unique compositions of compounds in the ICSD and then the 63,823 that are farther than 1% (measured using the L2 distance) of an entry in our training set.
Additional file 1: Table S1 indicates the identities and the percentage compositions of compounds present in the Hedychium species.
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The microstructure, surface morphology and phase compositions of compound layers were investigated by means of optical microscopy, SEM and X-ray diffraction, and then the kinetics for forming compound layer was analyzed.
Although preferences existed towards addition of formaldehyde to phenol, both resins showed finally similar composition of compounds.
The sizes of atoms are of importance in the determination of coordination number (that is, the number of groups attached to the central atom in a compound) and hence in the composition of compounds.
13065_2012_411_MOESM1_ESM.xls Additional file 1: Table S1: Percentage composition of compounds found in Leptospermum essential oils.
By the time Dalton (1808) made his first contributions to chemistry the law of constant composition of compounds could be added to this.
In Additional file 1: Table S1 the range of percentage composition of compounds found and their retention indices are given for the Leptospermum species investigated in this work.
Although Dalton himself resisted the move, Berzelius was able to show how Dalton's theory can be conveniently portrayed by representing the composition of compounds in terms of elements by chemical formulae in the way that has since become commonplace.
The percentage oil yield ranges and percentage composition of compounds for Leptospermum species found on the Sunshine Coast and Northern Rivers Region were for the most part commensurate with previous studies of these species.
The division of these data into clusters effectively indicated that use of different processing methods could significantly alter the composition of compounds within the different materials, and this separation could therefore be representative of their multiple pharmacological effects.
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