Curation
Interface

Business logic

Michał Nowotka
ChEMBL Group
EMBL-EBI

What is business logic?

In computer software, business logic or domain logic is the part of the program that encodes the real-world business rules that determine how data can be created, displayed, stored, and changed.

What is business logic?

• Prescribes how business objects interact with one another
• Enforces the routes and the methods by which business objects are accessed and updated
• Model real-life business objects (such as molecules, documents, targets)
• Describes workflows that are the ordered tasks of passing data from one participant to another

ChEMBL app schema

ChEMBL app schema

Complexity

With the Curation Interface, the complexity of business logic in not due to chemistry rules (this is covered by PP/RDkit) but the nature of complex one-to-many relation between unique molecule and its records (occurrences).

Single table operations:

CRUD:

• Create
• Retrieve
• Update
• Delete

Dependent objects:

Just more CRUDs...

Compound records

New set of available operations.

Authentication

1. Create New Compound

2. Insert New Record

3. Update Compound

4. Redraw Compound

5. Split Compound

6. Merge Compound

7. Move Compound

That's too many questions...

SDF support?

Curate view

Molecule Hierarchy handling

Future improvements:

• Flexible views
• Mapping records back to original document
• Automated downgrading after molecule record update
• Possibly lots of bug fixes

Thank you!

Questions?