Concepedia

Demonstration of a consensus approach for the calculation of physicochemical properties required for environmental fate assessments

Caroline Tebes-Stevens, Jay M. Patel, Michaela Koopmans, John Olmstead, S. H. Hilal, Nick Pope, E. Weber, Kurt Wolfe

Chemosphere · 2017 · 28 citations · 69 references

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Concepts

References

69

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

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Random Forest:  A Classification and Regression Tool for Compound Classification and QSAR Modeling

Vladimir Svetnik, Andy Liaw, Christopher Tong et al. · Journal of Chemical Information and Computer Sciences · 2003 · 3.6K citations

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PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

Chun Wei Yap · Journal of Computational Chemistry · 2010 · 3K citations · Full text

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Substituent Constants for Correlation Analysis in Chemistry and Biology.

Gordon L. Flynn · Journal of Pharmaceutical Sciences · 1980 · 2.8K citations

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Sorption of hydrophobic pollutants on natural sediments

Samuel W. Karickhoff, David A. Brown, Thomas B. Scott · Water Research · 1979 · 2.6K citations

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