Exact(6)
The structure generator does not produce duplicated structures but does not recognize possible tautomers which can produce the same InChIKeys.
In our latest study we proved the capabilities of CTI index for perception of duplicated structures in large structure collections [4].
The compounds were put together in one dataset and duplicated structures reported as being active against more than one target were removed in order to have unique active compounds on each target class.
The difference could originate from for instance the preparation of chemical structures, the machine-learning approaches used, or the presence of duplicated structures.
It is shown that the CTI index can be safely used for a quick perception of the duplicated structures in large databases in a very fast identity (full structure) search.
These are convergent class of rigid locking systems in groups with septo-neural transposition (Figure 21, 22, 23, 25, and 26) and the convergent class of ventrally arrayed and elastically tensioned LTPs in a several other groups (Figure 15A, 16, 17B, 18C both classes of anatomical change based on homeotic seriation of neomorphic or duplicated structures not present in the stem mammals.
Similar(54)
Our results indicate that the moss clock mechanism may represent an ancestral state in contrast to the more complex and partly duplicated structure of subsequent land plants.
According to several studies, the highly duplicated structure of the soybean genome has resulted from an incomplete diploidization due to a low rate of gene evolution and of structural genomic rearrangement [ 69, 70].
Since different deviations correspond to duplicate structures with different signal assignments the structure with the minimum deviation is retained from each subset of identical structures (i.e., the "best representatives" are selected from each family of identical structures).
Will tadpoles with artificially-expanded forebrains, duplicated CNS structures, increased proportion of serotonergic neurons, or ectopic eyes exhibit faster learning, better sensory acuity, or different baseline behavior than wild-type siblings?
Mixtures, chemicals missing structural information, and inorganic, organometallic, and duplicate structures were removed during curation (n = 374).
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