Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.

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How Open Data Shapes In Silico Transporter Modeling.In silico ADME-Tox modeling: progress and prospects.A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood.

P2860

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P2860

Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.

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2016 nî lūn-bûn

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2016年の論文

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Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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P1476

Simultaneous Prediction of fou ...... trates Using Multi-label QSAR.

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P2093

Andreas Bender

http://www.w3.org/2001/XMLSchema#string

Natália Aniceto

http://www.w3.org/2001/XMLSchema#string

Taravat Ghafourian

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P2860

Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs

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Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning

Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling

Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

QSAR models for P-glycoprotein transport based on a highly consistent data set.

Coping with unbalanced class data sets in oral absorption models.

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions

A review of feature selection techniques in bioinformatics.

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514-528

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scholarly article

P356

10.1002/MINF.201600036

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P478

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Alex A Freitas

Natália Aniceto

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2016-09-01T00:00:00Z

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27582431

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Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.

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P2860

P2860

Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.

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P1433

P1476

P2093

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P698