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Image Search Results
Journal: International Journal of Molecular Sciences
Article Title: Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features
doi: 10.3390/ijms232315018
Figure Lengend Snippet: Statistical characteristics of linear correlation of the predicted pK SF values with the reference pK values.
Article Snippet: NNScore 2.0 averages the prediction of an ensemble of 20 pre-trained neural networks that make their predictions based on
Techniques:
Journal: International Journal of Molecular Sciences
Article Title: Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features
doi: 10.3390/ijms232315018
Figure Lengend Snippet: Difference between AutoDock Vina and AutoDock VinaXB estimated pK values for complexes with non-zero contribution of the halogen bonding (according to AutoDock VinaXB).
Article Snippet: NNScore 2.0 averages the prediction of an ensemble of 20 pre-trained neural networks that make their predictions based on
Techniques:
Journal: International Journal of Molecular Sciences
Article Title: Assessing How Residual Errors of Scoring Functions Correlate to Ligand Structural Features
doi: 10.3390/ijms232315018
Figure Lengend Snippet: The selected scoring functions.
Article Snippet: NNScore 2.0 averages the prediction of an ensemble of 20 pre-trained neural networks that make their predictions based on
Techniques: