Table 1. Strategies Employed in the Various Case Studies in This Perspective That Have Contributed to Each Initiative’s Successa.
strategic decision | CSD | PDB | PubChem | ChEMBL | NMR |
---|---|---|---|---|---|
Cooperation with Scientific Journals | |||||
Journals mandate deposition as requirement for publication | ⊗ | ⊗ | – | ⊗ | |
Automatic deposition of data from journals | ○ | ⊗ | – | ||
Links to research articles reporting the data | ○ | ○ | ○ | ○ | |
Adaptability | |||||
Regular updates of data sharing principles and recommendationsb | ⊗ | ⊗ | ⊗ | ⊗ | ⊗ |
Integration and intercompatibility with other databasesc | ○ | ⊗ | ⊗ | – | |
Ability for individual users to submit data entries | ○ | ○ | ⊗ | – | ○ |
Ability for individual users to update data entries | ⊗ | – | |||
Use of and compliance with existing ontological frameworks where possible | ○ | ○ | ⊗ | ○ | ⊗ |
Functionality | |||||
Powerful search functionalities, e.g., sketch search, similarity search | ⊗ | ⊗ | ⊗ | ⊗ | – |
Focus on back-end and data delivery functionality rather than front-end | × | – | |||
Expert in-house curation and/or curation by “vigilantes”d | ⊗ | ⊗ | – | ||
Target Audience | |||||
Ease-of-use by nonexperts | ⊗ | ○ | ○ | ○ | ○ |
Adoption by industrial users as part of their core R&D workflowse | ⊗ | ○ | ○ | ⊗ | ○ |
Heavy initial advertisement in journals and conferences | × | ||||
Critical number of initial users who can provide feedback | × | ||||
Other Contributing Factors | |||||
Starting early, with relatively few data-points, or first-mover advantage | × | × | × | ||
Single, large funding source | ⊗ | × | |||
Funded via multiple smaller grants (at least partially) | ○ | ○ | ○ | ○ |
Key: (×) strategy employed at launch; (○) strategy employed now; (−) strategy not applicable.
At least every few years.
Easy mapping of data across multiple databases.
Reportedly gives users confidence in the data.
Particularly pharmaceutical and agrochemical industries.