Morphit
The elastic templating environment
Contents1. Features and benefits2. Template catalogue3. Tutorials4. Add-ins5. Roadmap6. Template installation
FEATURES & BENEFITSWhat is Morphit and why use it instead of MS Excel?
What is Morphit?A spreadsheet that provides an elastic
and robust analysis and templating environment
• Key benefits over MS Excel– Accuracy– Flexibility– Productivity– Supportability
The ‘elastic’ templating environment
Accuracy• Field-level formula
– Readable-fields– No cell-based copy-
paste transcription errors
– Familiar MS Excel-like functions
• Cell-level over-ride– Cell-marker– Reversible knock-
outField-based auditing and minimised mistakes
FlexibilityIdeal templating
environment• Familiar
Excel-like formula• Elastic
cascade of row number changes
• Relational ‘data linking’ provides
powerful analytical capabilities
Elastic templates
Productivity• Template builder
– Build templates faster (days not weeks)– Useful across a wide range of conditions– Integrate data access and analysis
minimising complexity– Instructions for workflow and usability
• Morphit user– Eliminate transcription errors between
sheets and applicationsAgility maximises customer satisfaction
Supportability• Maximise re-use with elastic templates• Eliminate VBA
– Access external data (files, databases etc)– Instructions panel
• Extend the capability– Statistics– Fitting– ...
Replace many Excel templates and applications with a single Morphit binder
TEMPLATE CATALOGUEDemonstrating the capability of Morphit for the life sciences
Life-Science Templates• Biology
(HTS)– In-vitro assays– Applying
compound progression rules
• Chemistry– Formulations with
DoE– pKa measurement
• DMPK– Bioavailability– Hepatic clearance
• Pharmacology (In-vivo)– Body weight– Tumour volume
• Toxicology– Animal
Locomotion
Binding-SPSingle point plate based assay.
Features• Flexible plate layout• Import of reader files and compound information• Automatic outlier rejection• Hit selection tools• QC Reports• Structure rendering
Add-ins• SDI4Morphit• Structures4Morphit
Binding-DRDose (concentration) response plate based assay.
Features• Flexible plate layout• Vary dose range and number of replicates • Import of reader files and compound information• Curve-fitting• Structure display
Add-ins• SDI4Morphit• Fitting4Morphit• Structures4Morphit
Protease InhibitionDose (concentration) response assay measuring protease inhibition.
Features• Flexible setup of plate-layout, dose-regime and number of replicates• Import data routines• Standard-curve and compound curve fits• Structure rendering
Add-ins• SDI4Morphit• Fitting4Morphit• Structures4Morphit
Compound ProgressionRetrieves single-point screening data for multiple targets, applies selectivity rules and submits a request.
Features• Access BioRails screening data• Extensible rules definition• BioRails ‘Cascade’ integration - submission of a request into BioRails for multiple compounds and multiple services
Add-ins• SDI4Morphit• Structures4Morphit• BioRails4Morphit
Dependencies• BioRails
FormulationsImplementation of a formulations experiment in which the remaining compound is measured over a range of conditions.
Includes• Fractional Factorisation in design of experiment
Add-insNone
Refhttp://www.ualberta.ca/~csps/JPPS8(2)/D.Preechagoon/morphine.htm
pKa measurementHigh throughput assessment of acid dissociation constant
Features• Import of compound list • SD File import of pKa predictions• Extensible rule-based system for determining neutral pH• Instrument integration
• generating ‘seed’ files• importing instrument data
• Structure display
Add-ins• Structures4Morphit
BioavailabilityDetermination of the bioavailability of a substance in an animal by comparing IV and PO routes of administration
Features• Sample-file import• Standard curve generation for area to concentration conversion• Curve-fitting to calculate half-life data• AUC calculations using trapezoid method• Visualisation of time traces
Add-ins• Fitting4Morphit• SDI4Morphit
Hepatic ClearanceDetermine the clearance of a compound from liver cells
Features• Multiple compounds and doses• Sample-file import• Calculation of standard curve• Multiple methods of calculating intrinsic clearance• Scaled intrinsic clearance calculations from empirical data• Summary tables for export to external systems
Add-ins• Structures4Morphit• SDI4Morphit• Fitting4Morphit
Body Weight DiabetesSales example demonstrating the set up and execution of an in-vivo assay
Features• Treatment groups• Randomisation of animals to groups• Self generates data for demonstrations• Scheduling• Low body weight indication• ANOVA (2-Way)
Add-ins• Stats4Morphit
Tumour VolumeOncology example supporting xenotransplantation experiments monitoring tumour growth over a number of days
Features• Treatment group definition• Animal request forms and import routines• Scoring sheets• Charting and statistical analysis (2-way ANOVA)
Add-ins• Statistics4Morphit
Animal LocomotionSafety pharmacology example where animal behaviour is monitored by telemetry, data files are imported and analysed
Features• Treatment Groups• Randomised animal allocation• Import of telemetry data (180,000 data points)• Binning of data for analysis• Mean and animal charts
Add-ins• SDI4Morphit
TUTORIALSLearning to understand and build Morphit binders
Tutorial Templates1. Quick-Start
– Tables– Linking– Borrowing
2. Borrowing – Use case
examples 1 to 15 from help file
3. In-vivo– Treatment
groups– Schedule– Data reduction
4. In-vitro1. Importing
external data2. Plate layouts3. Curve-fitting
Quick StartCompleted binder from the quick-start tutorial
Features• Three inter-related tables making use of
• Hierarchy• Borrowed fields• Linked fields
• View tables in the Relationship Browser
Add-ins• None
BorrowingEach of the 15 borrowing use cases is explicitly described to provide a solid understanding of the Morphit spreadsheet.
Features• T1 and T2 source tables• All 15 borrowing use cases described in the help file
Add-ins•None
In-vivoCompleted binder from the in-vivo tutorial
Features• Treatment groups• Manual animal allocation• Multi-event scheduling• Data reduction and charting
Add-ins• None
In-vitroCompleted binder from the in-vitro tutorial
Features• Flexible plate layout
• Plate dimensions• Well literals
• Variable • compounds• doses• replicates
• Plate reader file import• Curve-fitting
Add-ins• SDI4Morphit• Fitting for Morphit• Structures4Morphit
ADD-INSExtend the capability of Morphit template
Add-ins• Fitting4Morphit• Structures4Morphit• Stats4Morphit• BioRails4Morphit• SDI4Morphit
Fitting4MorphitCurve-fitting add-in fully integrated with the charting
Features• 17 different models including
• Exponential decay• Sigmoidal• Schild
• Fix parameters through formula• Return fit parameters• KO of data points
Structures4MorphitDisplay of small molecules
Features• Structure display from
• SMILES• MOL File
• Retrieval of compound properties
• Formula• Mass
• SD File Import
Stats4MorphitAdvanced statistics tests
Features• Tests
• Variance• Bartlett’s Test• F-Test• Levine’s Test• One Sample Chi-Squared Test
• Mean• One Sample T Test• One Sample Z Test• Two Sample T Test
• ANOVA• One Way ANOVA• ONE Way RANOVA• Two Way ANOVA
• Export to sheet
BioRails4MorphitIntegration of Morphit with BioRails MDM, LIMS and CASCADE
Features• MDM
• Access centrally managed dictionaries
• LIMS• Execute Morphit reports• Exchange data for settings and results
• CASCADE• Submit requests for lists of items against collections of services
ROADMAPPlanned developments for Morphit 2.x
Roadmap• Multiprocessor
support• Audit log• Table filters• Advanced pivoting &
reporting• Handling large data
sets*• Documented API
• Interface enhancements– Import routines– Instruction dependency– Formula editor
• Extended data sources– Excel workbooks
• Extended output options– XML– HTML– PDF– Excel
* >1 million data points
TEMPLATE INSTALLATIONAdding the templates to your Morphit templates directory
Accessing the templates• Contents
– Life Science Templates.zip– Tutorials Templates.zip
• Request a password• Extract into your Morphit
templates directory
Notes• For the life sciences examples set
your Morphit directory to C:\My Dropbox\Morphit\TemplatesSo that the instructions can access the
text files in data import commands• Tutorial PDFs are saved in the ..\Templates\Tutorials\ directory