Concepedia

Coloured chemical image-based models for the prediction of soil sorption of herbicides

Mirlaine Rotoly de Freitas, Stephen J. Barigye, Matheus P. Freitas, Matheus P. Freitas

RSC Advances · 2014 · 25 citations · 17 references

DOI

Concepts

Abstract

Herbicides with high soil sorption profiles constitute important organic pollutants leading to detrimental environmental effects, particularly due to prolonged use.

References

17

PLS-regression: a basic tool of chemometrics

Svante Wold, Michael Sjöstróm, Lennart Eriksson · Chemometrics and Intelligent Laboratory Systems · 2001 · 9.7K citations

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On Two Novel Parameters for Validation of Predictive QSAR Models

Partha Pratim Roy, Somnath Paul, Indrani Mitra et al. · Molecules · 2009 · 565 citations · Full text

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Further exploring r metrics for validation of QSPR models

Probir Kumar Ojha, Indrani Mitra, Rudra Narayan Das et al. · Chemometrics and Intelligent Laboratory Systems · 2011 · 554 citations

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Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

Nicola Chirico, Paola Gramatica · Journal of Chemical Information and Modeling · 2012 · 528 citations · Full text

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Comparative Studies on Some Metrics for External Validation of QSPR Models

Kunal Roy, Indrani Mitra, Supratik Kar et al. · Journal of Chemical Information and Modeling · 2011 · 453 citations

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