ArticleJournal of computer-aided molecular design2014
A crystallographic perspective on sharing data and knowledge.
Article in Journal of computer-aided molecular design, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
10 citing papers in PubMed.
- Review
- Article
- Quantum Chemistry Dataset with Ground- and Excited-state Properties of 450 Kilo Molecules.Scientific data · 2024Article
- Data science and its future in large neuroscience collaborations.bioRxiv : the preprint server for biology · 2024Article
- Evaluation of the stereochemical quality of predicted RNA 3D models in the RNA-Puzzles submissions.RNA (New York, N.Y.) · 2022Article
- The Repository Chemotion: Infrastructure for Sustainable Research in Chemistry*.Angewandte Chemie (International ed. in English) · 2020Article
- The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation.Molecular simulation · 2019Article
- The Cambridge Structural Database.Acta crystallographica Section B, Structural science, crystal engineering and materials · 2016Article
- Crystal structure refinement with SHELXL.Acta crystallographica. Section C, Structural chemistry · 2015Article
- Standards-based metadata procedures for retrieving data for display or mining utilizing persistent (data-DOI) identifiers.Journal of cheminformatics · 2015Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The crystallographic community is in many ways an exemplar of the benefits and practices of sharing data. Since the inception of the technique, virtually every published crystal structure has been made available to others. This has been achieved through the establishment of several specialist data centres, including the Cambridge Crystallographic Data Centre, which produces the Cambridge Structural Database. Containing curated structures of small organic molecules, some containing a metal, the database has been produced for almost 50 years. This has required the development of complex informatics tools and an environment allowing expert human curation. As importantly, a financial model has evolved which has, to date, ensured the sustainability of the resource. However, the opportunities afforded by technological changes and changing attitudes to sharing data make it an opportune moment to review current practices.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.