Tautomer Standardization in Chemical Databases: Deriving Business Rules from Quantum Chemistry (Q97564941)

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20 July 2020

title

Tautomer Standardization in Chemical Databases: Deriving Business Rules from Quantum Chemistry (English)

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20 July 2020

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Christopher M Baker

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20 July 2020

Nathan J Kidley

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20 July 2020

Konstantinos Papachristos

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Matthew Hotson

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20 July 2020

Rob Carson

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David Gravestock

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Martin Pouliot

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Jim Harrison

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20 July 2020

Alan J Dowling

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20 July 2020

publication date

9 July 2020

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Journal of Chemical Information and Modeling

20 July 2020

published in

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Consistency of systematic chemical identifiers within and between small-molecule databases

20 July 2020

cites work

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-4-35

Building an R&D chemical registration system

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-4-11

The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-015-0072-8

PubChem chemical structure standardization

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-018-0293-8

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-018-0299-2

Open data in drug discovery and development: lessons from malaria

3 January 2022

1 reference

27 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1038/NRD.2016.154

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

1 reference

13 June 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI100176X

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

1 reference

13 June 2022

https://opencitations.net/index/coci/api/v1/citations/10.1289/EHP.1510267

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1016/J.DRUDIS.2012.02.013

Open-source QSAR models for pKa prediction using multiple machine learning approaches

10 July 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-019-0384-1

Ambit-Tautomer: An Open Source Tool for Tautomer Generation

25 March 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201200133

Graphical representation standards for chemical structure diagrams (IUPAC Recommendations 2008)

8 April 2023

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/citations/10.1351/PAC200880020277

Identifiers

DOI

10.1021/ACS.JCIM.0C00232

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20 July 2020

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