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These results complement our findings in a previous study, where we investigated the consistency of systematic identifiers (i.e., whether a systematic identifier was consistent with the associated MOL file) and showed that this consistency varied greatly within and across databases [13].
The consistency of systematic identifiers with their corresponding MOL representations varies widely (Table 3).
To analyse the consistency of systematic identifiers between databases, the cross-reference linkage of compounds was examined.
Our approach of testing the consistency of systematic identifiers is general and can be applied to other databases and may prove valuable in data curation and integration efforts.
We have investigated the consistency of systematic identifiers of small molecules within and between some of the commonly used chemical resources, with and without structure standardisation.
In this study we investigate the consistency of systematic identifiers of well-defined structures within and between some of the commonly used chemical resources.
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The pattern of individual level change on the BDI-II from pre to post-treatment showed a high level of consistency, demonstrative of systematic differences between the groups in their response rather than sampling bias, increasing our confidence in the reliability of our main statistical analyses.
Our assessment of whether an intervention would be an effective component of our intervention took account of the strength and consistency of evidence (systematic review of randomised trials carried the most weight), and focus (evaluations among colorectal cancer patients were weighted most highly).
Using a similar approach, we also plan to investigate the consistency of non-systematic identifiers in chemical resources.
Table 3 Consistency of MOLs and systematic identifiers (in % agreement) within databases Database MOL InChI MOL SMILES MOL IUPAC DrugBank 98.2 98.5 90.0 ChEBI 96.5 96.5 75.3 HMDB 89.3 37.2 55.7 PubChem 97.7 97.8 87.2 NPC - 93.4 -.
The consistency of findings across systematic reviews with different search strategies, inclusion criteria and dates covered confirms the high specificity of US, MRI and MRA.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com