Morphit introduction

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