JChem Microservices provide microservices in small separate modules for different areas of ChemAxon functionalities like chemical dataset searching, conversion between chemical file formats.

1. JChem Microservices
Topics for further discussions

2. What to expect about this talk
Short introduction to some topics for further
discussions.
?
Ask for details

3. Architecture

4. Modules
JChem Microservices are ideal for cloud setups, where:
● You want to scale instances
● You don’t know how many instances you have and where
are they
● You have many machines

5. Cloud modules
● Config server
● Discovery
● Gateway

6. Chemical modules
● Calculations chemical property calculation
● DB chemical search and persistence
● IO chemical format conversions
● Markush enumeration structure generation from markush molecules
● Reactor structure generation from reactions
● Structure checker / fixer structure checking / manipulation for chemical compliance
● Structure manipulation general structure editing (ChemAxon API for non Java users)

7. Generating client on https://editor.swagger.io

8. Operation

9. Different packages
● GUI (/cui) installers (exe, sh): maximum customizability,
maximum user comfort
● Automated installers (deb, rpm): for system administrators
● Full manual installers (zip, tgz): for users without privileges

10. For orchestrator systems
We have docker containers
More info: https://github.com/ChemAxon/jchem-microservices-examples/tree/master/official-docker-images
In orchestrator systems you might not need the
cloud modules
JMS supports all cloud providers

11. Important changes compared to
JChem Web Services Classic

12. News and noteworthy changes - DB
● Tables must be created before first upload
● Standardizer config and search options are stored in molecule types,
that must be set at table creation
● Chemical data uses relevance ordering
● You can get FP distance with your results
● Convenient picture generation for molecules in DB

13. News and noteworthy changes - Calculations
● Closer to the Java API than before
● Better functionality coverage
● Fast feedback loop with user requests

14. News and noteworthy changes - IO
● Closer to the Java API than before
● Not relying on databases

15. News and noteworthy changes - Structure manipulation
● APIs and functionalities for molecule editing for those who can not
use our Java API
● We are waiting for user requests

16. News and noteworthy changes - Reactor
● Full functionality coverage of our console / GUI tool
● We can automatically assign reactant lists

17. News and noteworthy changes - Structure checker-fixer
● Full API coverage
● Same logic as Java API
● Presets
● Batch execution
● Result can be filtered

18. Migrating data from JWSC to JMS

19. How to migrate data from JWSC to JMS

20. Questions?

21. Balázs Zaicsek
bzaicsek@chemaxon.com
And now, get ready for cartridges!