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The final two cases are further differences between the treatment of structures by Open Babel and InChI.
While treatment of structures with multiple chiral centers in the MCDL is straightforward in many cases, the presence of multiple chiral centers in certain quasi-symmetrical structures may lead to complications due to the fact that the unique part of the MCDL linear descriptor is generated without consideration of stereochemistry.
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The usual approach when dealing with difficult problems is to correlate the results against chosen variables using linear regression analysis, a more powerful method of empirical analysis involves the use of neural networks, which have tremendous success in the quantitative treatment of structure-property relationships.
Experiments were designed to investigate the influences of annealing/rolling treatment on structures and properties of the composites.
In order to find out the role of ultrasonic waves time in acid treatment on structure of MWNTs, mixture of MWNTs and nitric acid was sonicated for different time.
Rapamycin treatment of Akt1 structures prevented the increased cell size, overgrown, and filled structures, indicating that Raptor/mTOR signaling was mediating the effects of Akt1 in these cells [ 47].
To ensure an equal treatment of all structures for VS experiment we present an automated procedure called structure protonation and recognition system (SPORES) for the setup of VS datasets.
An example is the treatment of large structures by using a CDPR.
The difficulties of using these simplified models for the treatment of actual structures exposed to natural conditions are then discussed.
Plasma treatment of GLAD structures with highly accessible surfaces improved control over interfacial properties, producing better reverse phase separations.
Recently, it was shown for the first time [15] that after vapor fluorine-hydrogen treatment of such structures, the PM effect also manifests in them.
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