We introduce the all new JChem Web Services platform that allows universal access to ChemAxon’s drug discovery platforms and offers true flexibility with its brand new RESTful API. A fresh take on the existing toolkits allows users to create and integrate applications with high productivity from any programming language, including C/C++, Python and Javascript for any platform including PC, Mac, Android and iOS. We demonstrate the capabilities through examples, including the all new ChemAxon Plexus web application.

1. JChem Web Services
Gabor Guta, PhD

2. Agenda
• The birth of the new REST API
• Explaining the Web Services products
• Scaling to the cloud

3. The JavaScript Experiment
Plexus – JavaScript Application
Backend – REST web services
MarvinJS
JChem Calculators Markush Etc.
Monitoring/
Security

4. Why you need REST API?
• Provides all services to build thin clients with
JChem functionality (JavaScript, PHP)
• Provide an easy to learn access to JChem
products from non-Java SE/EE environments:
Python, Perl, R, etc.
• Provide cost effective way to integrate JChem
products to your existing Service Oriented
Architecture / Enterprise Service Bus

5. Comparing to the existing WS product
• JChem „Classic” Web Services
This is our existing SOAP Web Service
platform – Heavy, Robust
• JChem Web Services
Our brand new REST Web Services
product – Simple, Lightweight

6. • Database Related Services
• Molecular Conversion Service
• Standardization Service
• Chemical Terms Service
• Reactor Service
• Markush Enumeration
• Admin Functions
• Authentication / ACL
SOAP/REST Product Features
SOAP REST
Y 6.0
Y 6.0
Y 6.1
Y 6.0
Y 6.1
Y 6.0
N 6.0
N 6.1

7. • Simple to deploy in the cloud (single
WAR file)
• Stateless functions (e.g. Calculations) can
be load balanced easily
• Distributed JChem Search needs some
pre and post processing:
– Split the queries to ranges
– Merge the results
Scale up in the cloud

8. • Expose all of the existing ChemAxon features
• Make Java side also extendable
• Authentication/Access Control
• Built in distributed functions
• Update SOAP WS
• Integration with Registration System and IJC
Road Map