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The main conclusions were that (1) the same descriptors were related to comfort and discomfort in using hand tools, (2) descriptors of functionality are most related to comfort in using hand tools followed by descriptors of physical interaction and (3) descriptors of appearance become secondary in comfort in using hand tools.
ChemDes makes it easy to compare the results obtained by different toolkits for the same descriptors.
Distributions were calculated with the same descriptors than the ones used to train the PCM models.
PERSPECTIVE: The findings of the present study suggest that, in some instances, different ethnic groups and genders may use the same descriptors to report different levels of pain.
ADMET Predictor uses the same descriptors for generation of the Kohonen map and for the model building.
These coefficients are lower than those (R2 = 0.86, RMSE = 0.0091) reported in Ajmani et al. for the same descriptors.
Similar(40)
This methodology allows for discrimination between synthons that share the same descriptor.
Consequently, two different structures in the chemical space can be represented by the same descriptor values.
In particular, in the early fusion, the similarities obtained by the same descriptor and different similarity functions are integrated with the Similarity Network Fusion (SNF) technique.
For decision tree models those built with pruning produced models of higher accuracy than the unpruned trees on the same descriptor set.
This distinction is important as in the calculation of some popular descriptors (e.g. Morgan fingerprints) [21], chemical substructures are hashed: different chemical substructures are mapped at the same descriptor position.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com