Towards interoperable and reproducible QSAR analyses: Exchange of datasets (Q27134746)

April 2022 Public Data File from Crossref

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copyrighted

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April 2022 Public Data File from Crossref

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Chemistry Development Kit

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exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-2-5

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Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

21 March 2017

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The C1C2: a framework for simultaneous model selection and assessment

21 March 2017

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Exploiting QSAR models in lead optimization.

28 September 2017

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Toward a class-independent quantitative structure--activity relationship model for uncouplers of oxidative phosphorylation

28 September 2017

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28 September 2017

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28 September 2017

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28 September 2017

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28 September 2017

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Chemoinformatics--a new name for an old problem?

28 September 2017

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Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.

28 September 2017

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A computational model for the prediction of aqueous solubility that includes crystal packing, intrinsic solubility, and ionization effects.

28 November 2018

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Chemoinformatics-based classification of prohibited substances employed for doping in sport.

28 November 2018

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Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity

28 November 2018

1 reference

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Spline-fitting with a genetic algorithm: a method for developing classification structure-activity relationships

28 November 2018

1 reference

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Principles of QSAR models validation: internal and external

28 November 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-2-5

Prediction of Physicochemical Parameters by Atomic Contributions

1 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-2-5

journals/jcheminf/SpjuthWGEW10

1 January 2022

Identifiers

DOI

10.1186/1758-2946-2-5

0 references

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02