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. 2023 Jul 5;63(14):4253–4265. doi: 10.1021/acs.jcim.3c00607

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)  
a

Key: (×) strategy employed at launch; (○) strategy employed now; (−) strategy not applicable.

b

At least every few years.

c

Easy mapping of data across multiple databases.

d

Reportedly gives users confidence in the data.

e

Particularly pharmaceutical and agrochemical industries.