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Schlagwörter: Biochemistry
Biochemistry
Biological Sciences not elsewhere classified
6
Chemical Sciences not elsewhere classified
6
Information Systems not elsewhere classified
6
Space Science
6
based ml methods
6
catalytic applications
6
catalytic binding energies
6
chemical intuition
6
dependent vector
6
dimension equal
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distinct departure
6
either relaxed
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employing ml methods
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entire pdos distribution
6
feature space
6
given machine learning
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impurity embeddings
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intrinsic dimensionality
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intrinsic feature space
6
machine learning
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maximally correlate
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maximally correlates
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model system
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orbital projected density
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pdos distribution
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physical property
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powerful tools
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predict binding energies
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predictive accuracy
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predictive benefit
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predictive capability
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predictive capacity
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predictive feature
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predictive feature space
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projection visualization
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provide significant improvements
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reductionist approach
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saa impurities
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saa substrates
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sabatier principle
6
semicore level properties
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single atom alloys
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sites examined
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transferability characteristics
6
two parts
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underlying binding properties
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uniform manifold approximation
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unrelaxed chemical datasets
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vicinal cuts
6