Post on 21-Aug-2018
www.deltasoftinc.comwww.deltasoftinc.com
Specializing in R&D Informatics since 1996
Based in New Jersey, USA
Long term ChemAxon partner – many joint customers
Commercial Software Applications
◦ ChemCart Suite of Products
Professional Services
All products integrated with ChemAxon◦ JChem Cartridge
◦ Marvin sketcher / renderer
◦ Structure Standandizer
◦ Property Calculators
◦ Structure to Name
www.deltasoftinc.com
Dynamic web forms interface to research information including:
ChemCart
ChemCart Server
Text, Numeric, ImagesDocuments, Files
Chemistry Cartridge(molecules & reactions)
• Structures• Reactions• Numeric• Text• Image• Documents• Files• Charts
www.deltasoftinc.com
Reagent Selection
Chemical Synthesis
Compound Registration
Sample Handling
BiologicalTesting
StructureActivity
ChemCart Application Modules
ChemCartReagentInventory
ChemCartELN
ChemCartCustomSynthesisRequest
ChemCartRegistration
ChemCartSampleInventory
ChemCartBioAssay
ChemCartBrowser
ChemCartfor Excel
www.deltasoftinc.comwww.deltasoftinc.com
Configurable forms interface◦ Structures / Reactions, Data, Images, Documents & Files
Web-based, no client install
Accesses chemistry data cartridge databases
Utilizes any chemical sketcher / renderer
Integrates with pipelining and analysis tools
Links to multiple Oracle databases, any data model
Use Out-of-the-Box Applications or for Rapid Application Development
Facilitates Collaboration – CROs, joint ventures, partners
www.deltasoftinc.com
Cartridge
Sketcher
Renderer
Excel Tool
Workflow Tool
Component Approach – Choice!
ChemAxonJChem
SymyxDirect
AccelrysAccord/Oracle
DaylightDayCart
CambridgeSoftCartridge
ChemDrawMarvinSymyxDraw
ISISDraw
ChimePro
Accord Chemistry
ISISfor Excel
Accordfor Excel
ChemCartfor Excel
AccelrysPipelinePilot
InforSenseKDE
Spotfire
Reagent Source(s)
CAP ACD ACXInternalReagents
VendorSDFiles
JChemfor Excel
JDrawJChemPaint
MarvinSymyxDraw
JDrawJChemPaint
www.deltasoftinc.com
“One Stop Shop” for commercial and in-house reagent sourcing◦ Vendor, pricing,
supplier info◦ Location, amount,
barcode info◦ Compound & Bottle
Categories◦ Health & Safety
Shopping Cart◦ Internal ◦ Supplier
Track bottle history from cradle to grave
Link to Purchasing
www.deltasoftinc.com
Record experiments◦ Reaction, reagents,
products,
◦ Text, images, documents & files
Auto calculations◦ limiting reagent
◦ mmol, vol, theo yield, % yield
Quick Pick reagents or text
Duplicate pages
Lock experiment & audit changes
Print notebook pages
Query own ELN or all
Link to Registration, Inventory
www.deltasoftinc.com
Request custom synthesis, internal or external
Provide experimental details, including image of reaction scheme and supporting documents
Create RFQs
Track and browse synthesis progress
Generate reports
www.deltasoftinc.com
Compound, Lot, Sample
◦ Duplicate structure checking
◦ Set required / optional fields
◦ Use picklists for controlled vocabulary
Configurable
◦ Fields
◦ Forms
Sample Inventory
◦ Track sample location
◦ Sample request
www.deltasoftinc.com
Biological Data entry
◦ Associate test results with registered samples
◦ Single point entry
◦ Batch load from Excel, text files, etc.
◦ Configurable pick lists
Load image results
◦ Paste single images
◦ Batch load
Attach supporting documents
◦ Original Excel files
◦ Raw data
www.deltasoftinc.com
Query by Form for chemical structures, reactions, data, documents, files, and images
Run multiple queries simultaneously with each having different search criteria
Build customizable forms, or use pre-defined forms to view results
Search by substructure, similarity, exact, and more
Generate custom report printouts of search results
Extensive result list handling
ChemCart Cloud SaaS
• Oracle / Amazon EC2
• DeltaSoft ChemCart web application suite
3-June-2009 13
Reagent
Selection
Chemical
Synthesis
Compound
Registration
Sample
Handling
Biological
Testing
Structure
Activity
ChemCart
Reagent
Inventory
ChemCart
ELN
Custom
Synthesis
Tracking
ChemCart
Registration
ChemCart
Sample
Inventory
ChemCart
BioAssay
ChemCart
Browser
ChemCart PaaS Example
15
Set friendly column names.Set pick lists
Select Data SourcesDefine joins
Set user access
Draw a form with boxes, tables, labels, and buttons.Save publicly.
Search worldwide!
www.deltasoftinc.com
Boxes
Tables
Labels
Buttons
Multiple Sheets
Field selector
Calc fields
Fonts, colors
Conditional formating
www.deltasoftinc.com
Methods
◦ Form
◦ Advanced Query Builder
StructA AND NOT StructB
◦ SQL Editor
Cartridge operators
◦ Substructure
◦ Exact
◦ Similarity
◦ Equals
◦ Etc.
www.deltasoftinc.com
Add Items
Cherry Pick
Perform Boolean Operations
Maintain List History
Import / Export
Save, Manage, Share
www.deltasoftinc.com
Print forms
Create ad hoc reports
Save / Share standard reports
Export to file
CSV
SDF
RDF
XDF
Excel
Accord for Excel
ISIS for Excel
JChem for Excel
ChemCart for Excel
Export to pivot
www.deltasoftinc.comwww.deltasoftinc.com
SampleInventory
ELN
ReagentInventory
BiologicalData
StructureActivity
CustomApps
FutureApps
Oracle & Data Cartridge
Bio TestResults
ReactionSynthesis
ReagentInventory
SampleInventory
AvailableChemicals
SpectraAssay
ProtocolsCompoundStructures
Web ServedApplications Compound
Reg
Middle Tier ChemCart Server
www.deltasoftinc.comwww.deltasoftinc.com
Web-based, configurable forms interface
◦ Benefit to Scientist
Standard set of discovery applications
Easy form based access to research data
Sharable objects for communication (e.g. forms, hit lists)
User customizable
◦ Benefit to IT
Minimal deployment & maintenance overhead
Rapid Application Development environment, no programming
Corporate standards (chemistry cartridge, sketcher/renderer, platform)
Integrates with best-of-breed 3rd party software for analysis and data integration
www.deltasoftinc.comwww.deltasoftinc.com
Michael Dippolito
President
DeltaSoft, Inc.
Email: miked@deltasoftinc.com
Tel: 908-595-9777
Fax: 908-595-9888
www.deltasoftinc.com