How to use this ppt template - ChemAxon...Akos Papp Title How to use this ppt template Author...
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COMPLIANCE CHECKER Akos Papp
Transcript of How to use this ppt template - ChemAxon...Akos Papp Title How to use this ppt template Author...
COMPLIANCE
CHECKER
Akos Papp
How to be compliant
Who is responsible?
Compliance Checker HTML
MRV
CSVMRV
The Service
UpstreamCompCheck
ServiceDownstream
Report
RESTful WebService
WS call (ELN, Reg)
GUI
PP/KNIME
Response
Rules
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Chemists either use the Web GUI or use Compliance Checker through the systems they use daily.
Specialists for particular tasks such as library management, import/export management use WebGUI or batch applications by CLI (incl. Pipeline Pilot, KNIME). Direct database check will be conducted when legislation changed.
System administrators and Rule administrators use Compliance Checker through Web GUI.
HitNot Hit
Not HitHit
HitHit
HitNot Hit
Not HitNot Hit
Cl
Cl
Cl
Cl
Cl
Cl
Cl
Cl
Structure in DB
Input structure
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EtherEster
Potassium salt
MixtureDimepheptanol
Any ester or ether of ---
Any salt of ---
Any stereoisomeric form of ---
Any compound (not being a compound
for the time being specified in sub-paragraph
(a) above) structurally derived from Tryptamine or
from a ring-hydroxy Tryptamine by substitution at
the nitrogen atom of a side-chain with one or more
alkyl substituents but no other substituent;
Alkyl
Phosphate ester
Coverage
Accuracy
Country Pass Rate
Canada 100%
France 100%
USA 99%
UK 99.7%
Sweden 100%
Switzerland 100%
Web GUI – Single check
Web GUI – Batch check
Performance
100 mol/secNCI structures
on a single
medium-type
Amazon server
(m4.xlarge)
Benchmark Test – Check 7 million structures
AWS1x
10x
Structure DB
3:15hours
Administration – Category Group Editor
Administration – User Defined Categories
Administration – Update Notifications
Administration - History
Administration - Report templates
Report templates usage
Compliance Checker in Chemicalize
Integration in IDBS E-Workbook
The integration api microservice
Bigdata Backend
Web
Before 18.27
ClientSoftware
cc-api service
api
ClientBrowser
Authentication
Integration example
Integration example 1 - CC Knime node (& JC4O nodes)
Integration example 1 - step 1
Integration example 1 - step 2
Integration example 1 - step 4
ELNDB
Integration Example 2 - Check all corporate structures
CC WS
Inventory DB
Structure DB
Registration DB
MasterKnowledge
Base
DEMO
Akos Papp
Web GUI – Single check
THANK YOU
Akos Papp
