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Introducing PlexusThe ChemAxon Collaborative Research Platform
Miklos J. Szabo
Plexus Suite
Analysis
DesignEnumeration
Analysis
Filtering
Synthesis
Biology
Plexus Suite
Industry Problems Based on Interviews
3
Current applications are too complex and non-intuitive
Inability/Difficulty in accessing data from multiple disparate sources
Collaboration
Loss of project-relevant information
Data sharing is difficultReporting is often problematic
ELNs are problematic – difficult to search & maintain
Access to 3D tools overwhelming & underutilized
SAR tools are too complex and non-intuitive
”Cheminformatics Solved”
4
5
Plexus Suite Modules – Key Features
6
Continuously Release New Capabilities
7
ProjectMngt
Document To DB
Bio Assay Synth.Chem.
PS Analysis
PS Design
PS Connect
Q3 – Q4 2014
ADMET
Q1-Q22015
Q3-Q42015
Compound Reg.
Q4 2014
• Form To Spreadsheet
• R-group Analysis
• Report to Office
• Clustering
Q1-2 2015
• Relational data views
• Assay Vis & SAR
• Tell Me Everything
Q3-4 2015
• Pivot views
• Statistical Calculations
• Spectral data
• BioSAR , Biologics Enumeration
Roadmap (Sep 2014) – User Collaboration
Plexus Suite
9
Simple and Intuitive UI
10
Context sensitive menus
Business and Feature Toggles
11
Collaboration
Role based access to forms
Role-based login
Row-level security (Oracle)
Share Query
Multifunctional Lists
CXN provides Infrastructure
12
Collaboration
13
Easy Access To Data
Reporting – Office Integration
Pivoted Table
JC4XL Pivoted Table
JC4O - PPT ReportLive URL
Export
Report
Report
Plexus Registration/Analysis for Biologics
15
Biologics in spreadsheets
Filter by sequence or structure
Register Abs, ADCs, peptides, oligos from Plexus UI
Design workflow support
Powered by Biomolecule toolkit
Alanine scanSingle site enumeration
Plexus Design for Biologics
16
MTGCRLCYWEC
ATGCRLCYWEC
MAGCRLCYWEC
MTACRLCYWEC
MTGARLCYWEC
MTGCALCYWEC
MTGCRACYWEC
MTGCRLAYWEC
MTGCRLCAWEC
MTGCRLCYAEC
MTGCRLCYWAC
MTGCRLCYWEA
MT A CRLCYWEC
MT L CRLCYWEC
MT I CRLCYWEC
MT V CRLCYWEC
MT T CRLCYWEC
MT[Dha]CRLCYWEC
MT[Hse]CRLCYWEC
MT[Nle]CRLCYWEC
MT[Nva]CRLCYWEC
MT[Sar]CRLCYWEC
MT[Aha]CRLCYWEC
Filter
RegisterMakeMeasure
What is next?
Getting Started
Technical Presentations
Recap
Demo
ps-demo.chemaxon.com
17