MODDE 10.x

What’s new

• Interface

– Ribbon interface - improved usability

– New report generator (10.1)

– New graphics

• Technical use

– Adjust factor settings in current design

– New dynamic overview plot

– Automatic testing of square and interaction terms in Analysis Wizard

– New Optimizer features

– Enhanced tools for design space estimation

– Identification of a robust setpoint

– Design Space Explorer (10.1)

– Export of Design Space to file

– Improved License management (10.1)

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News - Table of Contents

Ribbon interface and new graphics

• Ribbon for improved usability and fewer mouse-clicks

• Improved graphics

• Easier and more direct plot editing

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New interface

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New interface

File tab

Quick access toolbar

Tabs

Group

HelpContextual tabButtons

• One click to common plots!

• Groups according to logical work order

• Button positioning depending on frequency of use

• Plot galleries for quick access to plots

Easy access to desired tools and plots

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Tooltips explain the scope of each tool

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• Minimize ribbons when working on small screens

• More Commands enables rearranging buttons as you wish

• Use Quick Access toolbar for favorite shortcuts

Customize ribbons interface

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• To facilitate documentation a new report generator was implemented

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New report generator

• The report is included in the mip file at save.

• The report can be generated either from the Umetrics template or from a

user created template customized for standardized documentation

supporting a specific application or the company standard.

• Work log - open a blank report and use the report as a log of your

analysis during the investigation evaluation. Since the report is saved

with the mip file all your notes are stored with the data.

• If the report contains placeholders for specific tables or graphs they are

updated upon request. Useful after changes in the model or data.

• The report can easily be transferred to other

software for viewing or further editing.

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New report generator

New graphics

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New graphics that utilize the plot area optimally

• Change color, size, font, style by marking and clicking the mini toolbar

• For points, texts, headers, labels, legends, limits

Mini toolbar for direct plot editing

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• Pre-defined aspect ratios to suit various presentations and software with

instant preview for size verification.

Copy/paste of plots

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Adjust factor settings in current

design

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• In a design, the range for the factor settings might change from the

specification time point to the performance time point. This can now be

adjusted in MODDE.

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Adjust factor settings

If factor setting are changed

in “Factor Definition” a

question will appear allowing

you to adjust the factor range

and scaling only, not deleting

the design and worksheet.

Overview plot

• Overview for fast and interactive data analysis.

• Customize to display your favorite diagnostic tools.

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Overview plot

Automatic testing of square and interaction

terms in Analysis Wizard

• Automatic check for interaction terms inside the Analysis Wizard

• The Interaction test tool is available for resolution IV designs

• The test is performed by adding the two factor interactions one by one

to the linear model and investigating whether each term gives a

beneficial contribution to model quality

• When an interaction term improves the model, the Interaction test-button

becomes available

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Test of interaction terms

• Weak model for Yield response in Pilot Plant example

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Test of interaction terms

• Eligible terms are listed with significance and confounding information

(most likely AddT*Temp because mother terms are large)

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Test of interaction terms

• Updated model with improved performance (higher Q2)

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Test of interaction terms

• Automatic check for square terms inside the Analysis Wizard

• The Square test tool is available when no square terms are included in

the model

• The test is performed by adding the square terms, one by one to the

linear model, and investigating whether each term contributes

beneficially to model quality

• The Square test button becomes available when a square term

improves the model

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Test of square terms

• Suspected quadratic dependence for V18 response in Microtox example

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Test of square terms

• Eligible terms are listed with significance information

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Test of square terms

• Updated model with improved performance (higher Q2)

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Test of square terms

Enhanced tools for design space estimation

Steps from contour plots to designs space plots

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Contour plots of 3 different responses

i.e Dissolution @ 180, 360 & 600 mins

Overlay contour plots with specification gives a

Sweet Spot plot…

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… green = all specifications fulfilled.

• The difference between the acceptable area in the design space plot

and the corresponding Sweet Spot Plot is drastic.

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Design space plot

• The green area is where the spec. is fulfilled at a specific risk level, here

at a 0.1% RISK for failure. The 50% line corresponds to the border in a

conventional sweet spot or contour plot.

Misunderstanding that is somewhat conveyed in the ICH Q8 (R2).

– The tutorial displays why this is often wrong

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Summary: Sweet Spot is not Design Space

• The Sweet spot surface plot illustrates how the model for each

response influences the sweet spot.

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Sweet Spot Surface plot

Sweet

spot

Response

specification

line

The response surface on top

(A) has a steeper slope than

the lower one (B). Therefore

a change in the response

specification limits for (A) will

effect the size of the sweet

spot more than a change for

(B).

New Optimizer features

& identification of a robust setpoint

All illustrated using the Curing example from EVONIK

• Design Space: The DS is the factor region in which all response

specifications are fulfilled, at a specified risk level. The DS is a region

within the space spanned by the experimental design. The DS can be a

highly irregular volume.

• Setpoint: Selected numerical setting of the factors at which the user

intends to run the system. It can be defined by the MODDE optimizer or

the user. Optimally the setpoint lies within the DS. There can be multiple

setpoints inside a DS.

• Robust setpoint: Preferred setpoint allowing maximum variation in the

factors while not violating the design space borders.

• Setpoint analysis: Estimates the tolerance available for the factors at

every given setpoint.

• Setpoint validation: Checks if the system is robust against factor

disturbances corresponding to the investigated region.

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Some terminology

• New tools for enhanced understanding of the optimizer process

• Dynamic profile, Design space, Find robust setpoint, Design space

explorer, Setpoint analysis

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Optimizer tab of MODDE 10

Some of these tools are illustrated

using the Curing example, a full

tutorial can be downloaded from our

web. ”Evonic Design Space”

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Main Example: CURING (EVONIK)

• Evonik Industries provide polymer coatings for tablets that enable a

slow release of the drug in the body, to facilitate a continuous and

stable drug intake over a longer time.

• EUDRAGIT® NM 30 D is such a polymer, which in this case coats a

tablet for release during 12 hours.

• To function properly, the polymer needs to form a film, and this is done

in a process called curing.

Factors Abbr. Units Settings

Humidity Hum %RH 28 to 54

Temperature Temp °C 32 to 54

CuringTime CurT min 7 to 45

CuringTime through sampling at different times

Responses Abbr. Units Min Target Max

Dissolution 180 D180 % 11 16 21

Dissolution 360 D360 % 43 48 53

Dissolution 600 D600 % 68 73 78

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Factors and Responses

• To guide the user regarding the possibilities in the optimization step

MODDE calculates what’s possible to reach for each individual

response.

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Optimization step 1

Calculation of

possibilities

• Selected solution is displayed graphically

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Optimization step 2

Factor contribution is a normalized value

describing the factor influence on all

responses at the setpoint.

• The dynamic profile plot shows the setpoint in the context of response

specifications and the prediction profile. Factor contribution corresponds

to the relative slope around setpoint.

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Optimization step 3

Adjust interactively by dragging a point. All profiles and the

optimizer will be updated accordingly.

• To have a process that not only delivers a high-quality product, but

delivers it consistently, one wants to find a good setpoint where the

responses meet the criteria and is robust in the sense that all the nearby

factor settings encode high-quality products

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Finding a robust setpoint

• The robust setpoint will have maximal margin/distance to the border of

the design space as well as the technical constraint.

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Placement of robust setpoint inside Design Space

• Complete summary of optimizer settings and results

• Robust setpoint specific info: distance to borders and relative volume

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Optimizer analytics

• Calculates the acceptable range for each factor operating at the

selected setpoint

• Possibility to interactively change factor ranges and re-compute limits

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Analyzing setpoint using Monte Carlo simulations

• A Design Space of 3 or more dimensions can be difficult to visualize.

With the Design space explorer you can slide with in a 2D projection in

the design space. To have the ability to externally use or store a full

documentation of the design space it can also be exported to file.

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Visualize and Export of Design Space

Export the entire

design space to

text file.

Design Space Explorer

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• In the Design Space Explorer the robust point is marked with a cross

with arrows pointing to the robust point. When changing the constant

factors to orient in the design space the cross remains but the arrows

disappear.

• MODDE needs a valid license to be run.

• The license can be activated over the internet, via a communication to

a license server or using a license file.

• Once activated via the license server, a license is automatically

borrowed when closing MODDE 10.0.

• Once activated via the license server, a license is automatically

borrowed when opening MODDE 10.1, valid for one month.

• With MODDE 10.1 activation using a license file can be done by

double-clicking it or using drag and drop on MODDE.

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License management

• This presentation shows briefly the new features in MODDE 10.x.

• Tutorials on the web explain how to use MODDE 10.x in different

applications.

• Instruction movies are available on the web.

• Umetrics offers standard 2-3 days courses or tailored to your needs.

• Umetrics has a dedicated team of application specialists that can help in

specific projects or be a bridge to increased DOE knowledge.

Contact: info@umetrics.com

General information: www.umetrics.com

Summary

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