Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation.
By Antony J. Williams, Sean Ekins, Valery Tkachenko. 2012
109 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Molecular Biology
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Computational Theory and Mathematics
- Antony J. Williams
- Sorel Muresan
- Jan A. Kors
- Saber Ahmad Akhondi
- Christopher M. Grulke
- Richard S. Judson
- Kamel Mansouri
- Valery Tkachenko
In Molecular Biology
- Antony J. Williams
- Sorel Muresan
- Jan A. Kors
- Saber Ahmad Akhondi
- Valery Tkachenko
- Sean Ekins
- Alexandru Korotcov
- Daniel P. Russo
Citations in the corpus
- Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets. (2017, background): “For all the computational modeling approaches which we may want to consider they are dependent upon the model applicability domain 112 and are affected by the quality of the underlying data, 113, 114 which may in turn determine the utility and relevance of any model and prediction 115 .”
- The CompTox Chemistry Dashboard: a community data resource for environmental chemistry (2017, background): “This is a well-recognized problem that has been documented in some detail by others [43, 44].”
- Ambiguity of non-systematic chemical identifiers within and between small-molecule databases (2015, methodology): “We also considered a subset of the ChemSpider data that only contained information that was validated with the use of crowdsourcing, including curation work performed by members of the ChemSpider technical support team (ChemSpider-V) [20, 30].”