User Conference

San Diego, CA | April 7-8, 2020


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Monday, APRIL 6th
8:00 Breakfast
Laboratory Informatics Pipeline Pilot
10:00 Scientific Notebook
for Life Sciences
Pipeline Pilot for Admin
12:00 Lunch
1:00 Scientific Notebook
Show-and-Tell for CPG
Pipeline Pilot for Data Scientists
3:00 Break
3:30 ONE LAB:
System Aministration
Pipeline Pilot for Developers
4:30 Equipment Management
5:00 Recipe Authoring
5:30 Free Time
6:00 Dinner

Tuesday, APRIL 7th
8:00 Breakfast
9:00 Welcome
9:15 Plenary: 2020 Vision Life Sciences: Lifecycle of Research, Development, and Manufacturing
9:45 Plenary: Science Advancing Discoveries for New Materials and Energy
10:15 Transition to sessions
Laboratory Informatics Data Science Quality and Manufacturing Intelligence Materials Innovation through
Modeling and Informatics
10:30 What's New and Roadmap
for Laboratory and Operations
Gene Tetreault
Raising the Odds of Success
in Multi-Objective Optimizations
for Drug Discovery
Dana Honeycutt
The Future of QMS and Manufacturing
Chris Frost & Chris Andrews
Case Study:|
Data Science Application in a Fuel Cell
11:00 Case Study:
The Heart of Manufacturing Intelligence
Differentiation: From Atom to Product: A Scenario for Additive Manufacturing
Abhijit Chattopadhyay, PhD
11:30 Taking the Lab to the Cloud
John McNeil
Generative Materials Design
Ian Kerman
Next-generation Manufacturing
Techniques and Technology
Chris Andrews
Implementing a Fully Integrated Laboratory Testing Solution in Aerospace (TBD)
12:00 BIOVIA Workbook Updates and Path to
the 3DEXPERIENCE Platform
Kirsten Gesenberg
Multi-Objective Optimization
of Formulationsand Other Materials
Dana Honeycutt, PhD
Quality Data Assembly
for Publication
Chris Frost
Finding an Alternative Refrigerant Chemical Using Material Informatics (plp/Cosmo talk, customer)
12:30 Lunch
1:30 Connecting Equipment to the Cloud
and Using Workbook to Link Files
to Experiments with Metadata
Pfizer, Hahdi Perfect
Case Study:
Improved Lead Compounds
from Generative Therapeutics Design
Managing Multiple Data Sources
Chris Barlow
Chemical Vapor Deposition for Electronic Pre-cursors
2:00 What's New with Equipment Management
Mike Wilson
Finding an Alternative Refrigerant Chemical
Using Material Informatics
Abhijit Chattopadhyay, PhD
Lab Management for Materials Science (TBD)
2:30 From Request to Release:
Template Methods and Batch Release
in the QC Lab
She Yen Lok
Shabbir Kheraluwala
Molecular Modeling & Generative Strategies
for the Design and Optimization of Lead Series
Scott Bembenek
Simplifying Hierarchy Management
in BIOVIA Discoverant
Chris Andrews
Fuel Cell Catalysts: Moving Simulations Beyond Isolated, Pure Platinum Nanoparticles (TBD)
3:00 Panel: AI-driven Drug Design
Augmenting Knowledge-based
Generative Design
with Modeling and Simulation
Ton van Daelen, PhD
Multiscale Simulation of Composite Materials: Connecting Chemistry to Product
Jason Dejoannis, PhD
3:30 Break
4:00 What's new with
Method Authoring and Execution
Patrick Wheeler
Error Proof Assembly on Manufacturing
Shop Floor with Data Science
Nick Reynolds
Cloud-based Manufacturing Analytics
Chris Andrews
20 Years of BIOVIA Materials Studio
Retrospective and Future Directions
James Wescott, PhD
4:30 BIOVIA Notebook Updates
and Path to the 3DEXPERIENCE Platform
Dennis Curran
Imaging with Deep Learning:
Case Studies in Life
and Materials Sciences
Panel: Collaboration Across the
Manufacturing Network
5:00 Life Science
Customer Case Study
Quality/Manufacturing JAM
Your Favorite Feature in a Minute
Murtuza Vasowalla
Chris Andrews
5:30 Free Time
6:00 Dinner

Wednesday, APRIL 8th
8:00 Breakfast
Laboratory Informatics Data Science Quality and Manufacturing Intelligence Materials Innovation through
Modeling and Informatics
8:30 Unleashing the power of Pipeline Pilot:
Design and Development of a
Next-generate Balance Interface for Workboo
Marty Berliner
What's New in Pipeline Pilot?
Alex Orona
Matt Sage, PhD
QMS in the Cloud
Murtuza Vasowalla
Reaction Modeling
Key for Catalysis
Abhijit Chatterjee, PhD
9:00 Workshop:
Leveraging BIOVIA Pipeline Pilot
to Extend ONE Lab
Shabbir Kheraluwala
9:30 Achieving ULM Peace of Mind
with the Zen of Architecture,
David Dorsett,
Industry Consultant
Anything With Software
Case for Custom Software Development
(vs. vendor OTS or OOTB)
and How We usePipeline Pilot.
Jennifer Heymont
Automating Hierarchy Development
from a S88 Recipe
Larry Fiegland
10:00 Break
10:30 Case Study
Lab to Table
Baking Bread with Perfect Lab
Patrick Wheeler
Panel Discussion:
Data Science in Practice
with Pipeline Pilot
Extending BIOVIA Discoverant
with BIOVIA Pipeline Pilot
Chris Andrews
COMPASS III Forcefield
and Forcefield Fitting
James Wescott, PhD
11:00 Thermodynamic Property Prediction
with BIOVIA COSMOtherm
Karin Wichmann, PhD
11:30 What's new with Lab Planning
and Sample Management
Bruce Grieshaber
BIOVIA Pipeline Pilot Tips & Tricks
Ian Kerman
Digital Development and Manufacturing
on the 3DEXPERIENCE Platform
Dennis Curran
A Novel Method for
the Highly Efficient Simulation
of Surfactant Systems
Karin Wichmann, PhD
12:00 Lunch
1:00 Panel: From Pilot to Production Utilizing
Agile Methodologies
Jessica Justice & Dave Dorsett
Case Study:
Data Analytics and Visualization:
An Introduction to BIOVIA Insight
Matt Sage, PhD
TBD Workshop:
Solvation Chemistry
Karin Wichmann, PhD
1:30 What's New with CISPro
Anne Sefried & Chris Strassel
Introduction to Jupyter Notebooks
in Pipeline Pilot
Creating Derived Parameters
in BIOVIA Discoverant
Larry Fiegland
Ryan Holoway
2:00 TBD What's New in Research Informatics?
Matt Sage, PhD
2:30 Break
3:00 BIOVIA Formulations and Registration
on the 3DEXPERIENCE Platform
Chris Strassel
Mary Beth Finnegan
Pipeline Pilot Pet Peeves
Steve Bush
Reuse of Data
from Quality Management Systems
Chris Frost
Battery Materials Modeling
external speaker
3:30 Materials Marketplace
Gene Tetrealt
Automating Regulatory Reporting
with BIOVIA Discoverant and QUMAS
Chris Andrews & Murtuza Vasowalla
Battery Design
from Chemistry to System + Demo
Stephen Todd & Ian Kerman
4:00 Data Science in the Lab
Eddy Vande Water
Workshop: Internet of Things
Jason DeJoannis
3D Genius - Ask the Quality
and Manufacturing Experts Panel
5:00 Scientific Intelligence for the Lab
Matt Sage
6:00 Conclude

Additional Sessions for Laboratory Informatics
10:00 Task Plan Extension Bruce Grieshaber
5:00 Data Science in the Lab Eddy Vande Water
Additional Sessions for Life Science
1:00 Case Study: Enabling Precision Medicine Niran Iyer, PhD, Hugues-Olivier Bertrand, PhD
Market and regulatory demands for therapeutic efficacy and safety on the biopharmaceutical industry are driving the creation of ever more specific treatments. As a result, organizations are growing their precision medicine initiatives, with new methods such as CAR-T allowing practitioners to provide care on a per-patient basis. However, these demands require that organizations rethink the manner in which they carry out their R&D as well as how they treat patients. This presentation will cover how modeling and simulation, coupled with –omics-driven data science techniques, can influence the efficacy and scalability of these new therapeutic classes.
1:30 What's New in BIOVIA Discovery Studio 2020 and Roadmap Tien Luu, PhD
BIOVIA Discovery Studio 2020 is an exciting major release building on the software’s decades-long legacy of scientific development in life science modeling and simulation. This talk presents the latest new science, features and enhancements, and provides a preview of plans for the future roadmap.
2:00 Physics-based Binding Affinity Calculations in Small Molecule Lead Optimization Prabhu Raman, PhD
This talk will focus on physics-based computational methods to assist in small molecule lead optimization (LO). Attention will be placed on new tools implemented in BIOVIA Discovery Studio for protein-ligand binding affinity calculation and their applicability domains in early and late-stage LO. Early LO can benefit from the rapid screening of a large number of design ideas; toward this goal, the utility of a recently implemented end-point method to screen congeneric ligands will be discussed. Complimentary to this, the development and validation of an accurate explicit solvent-free energy perturbation (FEP) workflow for late-stage LO will be presented. Addressing the relatively higher computing time of FEP, a newly deployed alternative free energy method called Lambda Dynamics will be presented that allows for efficient R-group chemical space exploration. Addressing different domains of applicability, these methods together have the potential to bring significant efficiency and effectiveness to small molecule lead optimization.
2:30 Predicting Protein Formulation Properties in BIOVIA Discovery Studio 2020 Lisa Yan, PhD
Formulation issues, including aggregation, protein stability, high viscosity, and low solubility put biologic design projects at high risk and cause failure in late-stage development. BIOVIA Discovery Studio provides computational tools to predict protein formulation properties which allow quick ranking and screening of the antibody candidates in the early stage of biologics design to help to reduce the downstream risks. Join this talk and see the added functionality for predictions of viscosity (based on the SCM algorithm from MIT) and solubility in the latest Discovery Studio release.
3:30 Pipeline Pilot Pet Peeves Steve Bush
Bothered by something in Pipeline Pilot? Come share your biggest pet peeves with the Pipeline Pilot Team.
4:30 Workshop: Internet of Things Jason DeJoannis PhD BIOVIA
We will use Pipeline Pilot to engineer machine learning descriptors from time series data coming from equipment in the field. We will build predictive maintenance models to tell us when to perform maintenance on each machine

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