Morphit 5. Edge User Group Meeting 2017 Ted Hawkins PhD VP Product Delivery

Transcription

1 Morphit 5 Edge User Group Meeting 2017 Ted Hawkins PhD VP Product Delivery

2 Contents What is Morphit and what makes it good for scientists? New features and benefits of v5 Workshop Advert

3 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

4 Release History 2010 Initial Release 2015 Alter Table Structure Weighted Fitting 2016 User Defined Fits Fitting Graphics Export 2011 Export to PDF, HTML BioRails Integration 2014 Morphit Data Source Binder Import 2017 Reporting 64 Bit Architecture Mapping Tools 2012 Audit Trail Biovia Integration 2013 Undo Redo Extended Stats PK Functions

5 Morphit

6 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

7 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

8 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

9 Compound Profile Report PDF Compound details including structure Inventory details from BioRails INV Results from BioRails DM

10 Batches Structure 5HT1A Fluorescence IC50 GRT um (n=1) 5HT1B Fluorescence IC50 SAR Report MS Excel Export directly to Excel Images are persisted in document and not reliant on an image server GRT um (n=1) GRT um (n=1) GRT um (n=1) GRT um (n=1) GRT um (n=1) GRT um (n=1)

11 KPI Reporting In this example assay turnaround times are calculated from the tracking tables in the PTO module of BioRails

12 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

13 Study Report The report has been passed out to a Word document (RTF format) where it can be edited directly.

14 Report Builder

15 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

16 Missing References This diagnostic tool will detect any missing references and provide instant navigation to the field or cell.

17 BioRails Dictionary Browser Simplify the deployment of Morphit binder solutions across systems by locating and updating BioRails dictionaries used to support the experiment workflow.

18 Table Mapping Feature Inserts references from source to destination table. Automap or manual options Benefit Accuracy Time saving

19 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

20 Data import Automap/Autocreate

21 =CODE(Character) CODE function Returns the ASCII CODE for a text character, the opposite of the CHAR function.

22 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))

23 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")

24 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

25 Heat Map New chart type for rendering heat maps.

26 Next? BioRails Integration Process definition from Morphit Asynchronous data loading Chemical Intelligence Structure Rendering File import export Structure Searching

27 Questions

28 Morphit Workshop Report Building Generate a dose response report Starter Pack Review Reporting examples Import Definitions Curve editor Best practice discussion