15 research outputs found
QSAR classification and regression models for β-secretase inhibitors using relative distance matrices
Full text linkDefinition of the Applicability Domains of Knowledge-based Predictive Toxicology Expert Systems by Using a Structural Fragment-based Approach
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Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure\u2013Activity Relationships
Full text linkA Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data
Full text linkCurrent status of methods for defining the applicability domain of (quantitative) structure-activity relationships
Full text linkDefining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions
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Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model Visualization
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