Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.

Item
http://www.wikidata.org/entity/Q41875931
In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9Chemoinformatic Classification Methods and their Applicability Domain.In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning.Validation and extension of a similarity-based approach for prediction of acute aquatic toxicity towards Daphnia magna.Supervised extensions of chemography approaches: case studies of chemical liabilities assessmentA QSAR classification model for neuraminidase inhibitors of influenza A viruses (H1N1) based on weighted penalized support vector machine.A cascaded QSAR model for efficient prediction of overall power conversion efficiency of all-organic dye-sensitized solar cells.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood.A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas).QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity.Machine learning in chemoinformatics and drug discovery.Quantitative structure–activity relationships to predict sweet and non-sweet tastes
P2860

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions.

Item
http://www.wikidata.org/entity/Q41875931
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Defining a novel k-nearest nei ...... odel for reliable predictions.
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type
label
Defining a novel k-nearest nei ...... odel for reliable predictions.
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prefLabel
Defining a novel k-nearest nei ...... odel for reliable predictions.
@en
P1433
P1476
P2093
P2860
P2888
P304
P31
P356
P433
P478
P50
P577
P5875
P6179
P698
P921
P932
P356
P1433
P1476
Defining a novel k-nearest nei ...... odel for reliable predictions.
@en
P2093
P2860
P2888
P304
P31
P356
P433
P478
P50
P577
P5875
P6179
P698
P921
P932