Morphit 5

Edge User Group Meeting 2017

Ted Hawkins PhD

VP Product Delivery

Contents

• What is Morphit and what makes it good for

scientists?

• New features and benefits of v5

• Workshop Advert

Morphit - Yet Another Spreadhseet?

• Multi-dimensional spreadsheet

– Spreadsheet interface

– Database-like structure and function

• Conceived to address requirements in drug discovery

– Familiar spreadsheet environment

– Minimise errors when transcribing formulae and data

– Eliminate need for VBA back door

Release History

2010

• Initial Release

2011

• Export to PDF, HTML

• BioRails Integration

2012

• Audit Trail

• Biovia Integration

2013

• Undo Redo

• Extended Stats

• PK Functions

2014

• Morphit Data Source

• Binder Import

2015

• Alter Table Structure

• Weighted Fitting

2016

• User Defined Fits

• Fitting

• Graphics Export

2017

• Reporting

• 64 Bit Architecture

• Mapping Tools

Morphit

Modelling Science

• Structure means

– Flexibility

– Reduced errors and

maintenance

– Intelligent analytics

• Data sources

– Morphit

– Text & Excel flat and reader

files

– Database & BioRails queries

• Instructions

• Plugins extend scientific

capability

– Curve fitting

– Statistics

– Reader file access

– BioRails integration for

workflow and result

publishing

New Features in Morphit 5

Feature

• Reporting Module

• 64 bit architecture

• Authoring & Diagnostics Tools

– Missing references browser

– Table mapping

– Query tables mapped by name

– BioRails Task remapping

– BioRails credentials

• Function and chart enhancements

Benefit

• Publishing quality output

• Scalability

• Less effort and more accuracy

– Catch errors

– Quickly build tables

– Query re-use

– Binder portability

– Retrieve images and content safely

• Increased capability

Reporting

• Design and publish reports in Morphit

• Data sources can be extended in reporting tool to

– Oracle

– MySQL

– SQL Server

• Use Morphit or reporting graphics

• Retrieve graphics from BioRails

Compound Profile Report PDF

• Compound details including structure

• Inventory details from BioRails INV

• Results from BioRails DM

SAR Report MS Excel

• Export directly to Excel

• Images are persisted in document and not

reliant on an image server

Batches Structure 5HT1A Fluorescence IC50

GRT00002723-1 0.03758 uM (n=1)

GRT00002724-1 0.3387 uM (n=1)

GRT00002720-1 0.1694 uM (n=1)

GRT00002721-1 0.01145 uM (n=1)

GRT00002722-1 0.01533 uM (n=1)

5HT1B Fluorescence IC50

GRT00002718-1 0.04243 uM (n=1)

GRT00002719-1 0.02055 uM (n=1)

KPI Reporting

In this example assay turnaround times are

calculated from the tracking tables in the PTO

module of BioRails

Study Report

The report can be built with ‘canned’ content

and parameters passed into it to reflect the

study Protocol.

Charts can be generated in Morphit tables or in

the reporting tools own graphics library.

Tables of contents are constructed

automatically.

There is a wide variety of output formats

including

• PDF

• RTF (Word compatible)

• MS Excel

• HTML

Study Report

The report has been passed out to a Word

document (RTF format) where it can be edited

directly.

Report Builder

Other Enhancements

General

• Missing references

• Table mapping

• Import file mapping

• Functions

– ERREMPTYHANDLER

– CODE

– FILTER with wildcards

BioRails

• BioRails Metadata

– Server address

– Logged on user

– Session key

• BioRails Dictionary

– Browser

– Formula

• Task remapping enhancements

Missing References

This diagnostic tool will detect any missing

references and provide instant navigation to

the field or cell.

BioRails Dictionary Browser

Simplify the deployment of Morphit binder

solutions across systems by locating and

updating BioRails dictionaries used to support

the experiment workflow.

Table Mapping

• Feature

• Inserts references from source to destination

table.

• Automap or manual options

• Benefit

• Accuracy

• Time saving

Data import Automap/Autocreate

• Automap - automatically associated import columns

to the Table’s fields by name

• Autocreate - automatically adds import columns to

the Table and associated the source data columns.

Note: Query tables, where possible, import using name

rather than column index

Data import Automap/Autocreate

CODE function

Returns the ASCII CODE for a text character,

the opposite of the CHAR function.

=CODE(Character)

FILTER function with Wildcards

Filter functions are used to access a subset of

data within a table and the additional of the

‘~’ operator provides greater flexibility.

=JOIN(LB,FILTER(Formula,"~*Hydrochloride*",Formula))

ERREMPTYHANDLER function

Combines error handling and ‘empty’

references in a single function and is used to

simply the final presentation of data.

In this example there are no ‘formula’

containing the NaCl string so “No Hits” is

returned.

=ERREMPTYHANDLER(FILTER(Formula,"~*NaCl*",Formula),"No NaCl")

BioRails Session Information

The ‘BioRails Metadata’ table has been

extended with connection information, namely:

• User_Name - the login of the connected

user

• Session_Key – used to access files on the

server. Note the session key is generated

with each connection and expires.

• System_URL – the address of the application

server

Heat Map

New chart type for rendering heat maps.

Next?

• BioRails Integration

– Process definition from Morphit

– Asynchronous data loading

• Chemical Intelligence

– Structure Rendering

– File import export

– Structure Searching

Questions

Morphit Workshop

Report Building

• Generate a dose response report

Starter Pack Review

• Reporting examples

• Import Definitions

• Curve editor

• Best practice discussion

http://www.edge-ka.com/downloads