AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies.An automated framework for QSAR model building.

P2860

Q38967201-7AD77962-B629-4652-A9CB-5ED9DBE15AF6 Q48230351-AA80B379-F317-4099-A64C-1BD08C6845DA

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AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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http://www.wikidata.org/entity/Q38819844

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2016 nî lūn-bûn

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2016年の論文

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2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

@zh-mo

2016年論文

@zh-tw

2016年论文

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2016年论文

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2016年论文

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AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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P1476

AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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Christopher D Von Bargen

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

Ethan Smith

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

Jianxin Duan

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

Matthew P Repasky

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

Steven L Dixon

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

Woody Sherman

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

P2860

Random Forests

QSAR modeling: where have you been? Where are you going to?

Best Practices for QSAR Model Development, Validation, and Exploitation

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Computer-Assisted Synthetic Planning: The End of the Beginning.

Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish.

An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts.

New public QSAR model for carcinogenicity.

Investigation of classification methods for the prediction of activity in diverse chemical libraries.

Improved naïve Bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction.

P31

scholarly article

P356

10.4155/FMC-2016-0093

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

P577

2016-09-19T00:00:00Z

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

P698

27643715

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

P921

machine learning

AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

about

P2860

P2860

AutoQSAR: an automated machine learning tool for best-practice QSAR modeling.

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name

type

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prefLabel

P1433

P1476

P2093

P2860

P31

P356

P577

P698

P921

P356

P1433

P1476

P2093

P2860

P31

P356

P577

P698

P921