Chemoinformatics at IFP Energies Nouvelles: Applications in the Fields of Energy, Transport, and Environment.

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Chemoinformatics at IFP Energies Nouvelles: Applications in the Fields of Energy, Transport, and Environment.

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http://www.wikidata.org/entity/Q38832855

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2017 nî lūn-bûn

@nan

2017年の論文

@ja

2017年論文

@yue

2017年論文

@zh-hant

2017年論文

@zh-hk

2017年論文

@zh-mo

2017年論文

@zh-tw

2017年论文

@wuu

2017年论文

@zh

2017年论文

@zh-cn

name

Chemoinformatics at IFP Energi ...... y, Transport, and Environment.

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type

Item

label

Chemoinformatics at IFP Energi ...... y, Transport, and Environment.

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prefLabel

Chemoinformatics at IFP Energi ...... y, Transport, and Environment.

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P1476

Chemoinformatics at IFP Energi ...... y, Transport, and Environment.

@en

P2093

Benoit Creton

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P2860

Predicting activities without computing descriptors: graph machines for QSAR

Best Practices for QSAR Model Development, Validation, and Exploitation

Transferable force field for equilibrium and transport properties in linear and branched monofunctional and multifunctional amines. II. Secondary and tertiary amines.

Using general regression and probabilistic neural networks to predict human intestinal absorption with topological descriptors derived from two-dimensional chemical structures.

Synthesis, structure, and carbon dioxide capture properties of zeolitic imidazolate frameworks.

Real external predictivity of QSAR models: how to evaluate it? Comparison of different validation criteria and proposal of using the concordance correlation coefficient.

Real external predictivity of QSAR models. Part 2. New intercomparable thresholds for different validation criteria and the need for scatter plot inspection.

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes.

A concordance correlation coefficient to evaluate reproducibility.

Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction.

P31

scholarly article

P356

10.1002/MINF.201700028

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P577

2017-04-18T00:00:00Z

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P698

28418201

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P921

cheminformatics

Chemoinformatics at IFP Energies Nouvelles: Applications in the Fields of Energy, Transport, and Environment.

about

Chemoinformatics at IFP Energies Nouvelles: Applications in the Fields of Energy, Transport, and Environment.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P31

P356

P577

P698

P921

P356

P1433

P1476

P2093

P2860

P31

P356

P577

P698

P921