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Exact(4)
The observation that the SCI values in the training sets using 3D descriptors for efflux when building prediction models are larger than those built using 2D descriptors suggests that the 3 D descriptors will allow more accurate mapping of the SALI landscape, which should translate into higher quality models.
Extensions to address these issues, which will likely yield even higher quality models, are currently under development.
Further, it is clear that for proteins with better-predicted contacts, the generated models are of higher quality, i.e. future improvements in contact predictions will result in higher quality models.
The fast implementation also makes it possible to use new clustering strategies, and we describe two methods that identify significantly higher quality models than the widely used Spicker (Zhang and Skolnick, 2004) and the recently published Clusco (Jamroz and Kolinski, 2013) packages.
Similar(56)
Consider the following extension of the model by assuming two qualities, for instance component (A_{1}^) will have a higher quality modeled as a higher willingness to pay in the utility function.
When General Electric decided to reshore water heaters, it was able to produce a higher quality model for a retail price 20percentt lower than the Chinese model it replaced, creating 1300 jobs and leading to reshoring of refrigerators and washing machines too.
In all experiments, the MDL public keys and PubChem's CACTVS [36] are used for model development since they tend to yield high quality models [10, 37, 38].
Further, high quality models developed for a small subset of chemical space can be combined in a global model that covers larger chemical space using various ensemble techniques.
Using satellite and observatory data (selected and processed as indicated before), high quality models of the recent geomagnetic field have been developed.
The highest quality models in term of 'precision' are those for farnesyl transferase (0.98), β-glucocerebrosidase (0.81) and dihydroorotate dehydrogenase (0.87).
The influence of various atomic partial-charge formalisms, alignment schemes and additional molecular descriptors was evaluated in order to produce the highest quality models.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com