
October 21-22 | Le Méridien Hotel | Cambridge, MA
Bridging the gap between the latest technology advancements and pharmaceutical research

Learn about the state-of-the-art
computational solid form screening and designing technologies with real-life case studies, lectures, and discussions.
Limited seats available:
Free

October 21-22, Mon - Tue
A two-day scientific symposium to learn about newly available technologies and research methods from 20+ leading scientists in academia and industry.
October 20, Sun
Contact Us
Our Address
Le Méridien Boston Cambridge
20 Sidney Street,
Cambridge, Massachusetts 02139 USA
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October 21
8:40-9:00
9:00-9:35
9:35-10:10
10:10-10:45
10:45-11:00
11:00-11:35
11:35-12:10
12:10-13:10
13:10-13:45
13:45-14:20
14:20-14:55
14:55-15:10
15:10-15:45
15:45-16:20
16:20-16:55
16:55-17:10
17:10-17:45
17:45-18:20
18:20-20:00
Welcome address
Stephen Kennedy Smith - Board Member and Principal, Joseph P. Kennedy Enterprises
Session 1 :In Silico Solid State
Solid-State Chemistry from Lead Optimization to Product Launch with Evolving Paradigms and Modalities
Ahmad Sheikh - Director, Solid State, AbbVie
Predicting the Crystallization Propensity of Active Pharmaceutical Ingredients
Bruno Hancock - Global Head of Materials Science, Pfizer
The API Form in Pharmaceutical Drug Product - Risks and Mitigation Strategies
Shawn Yin - Research Fellow, BMS
Coffee Break
Molecular Modeling Applications in Crystallization
Alfred Lee - Principal Scientist, Merck
Solubility in the Age of a Data Lake
Michael Lovette - Principal Engineer, Amgen
Lunch
Digital Design - from Molecules to Products with Solid Form Informatics
Pete Wood - Product Manager, CCDC
Modeling Support of Pharmaceutical Crystallization
Yuriy Abramov - VP, Scientific Affairs, XtalPi
In Silico Solid-State Panel Discussion
Moderator: Yuriy Abramov, VP of Scientific Affairs, XtalPi
Panelist:
Bruno Hancock - Global Head of Material Science, Pfizer
Jane Li - VP of Material Science, Pharmaron
Hyunsoo Park - Principal Scientist, Amgen
Jürgen Harter - CEO, CCDC
Coffee Break
Session 2 :Advancing CSP
Entropy and Conformational Heterogeneity in Molecular Solids
Michael Shirts - Associate Professor, UC Boulder
Reliable and Practical Computational Prediction of Molecular Crystal Polymorphs
Alexandre Tkatchenko -- Professor, University of Luxembourg
Intelligent Cloud-Based Algorithms for Pharmaceutical Sciences
Michael Bellucci - Senior Director of Solid Form Design, XtalPi
Coffee Break
Restoring the Balance: Accurate Treatment of Intra- and Intermolecular Interactions in Conformational Polymorphs
Greg Beran - Professor of Chemistry, UC Riverside
Property-Based Genetic Algorithm Optimization of Molecular Crystals for High Carrier Mobility
Noa Marom - Assistant Professor, Carnegie Mellon University
Cocktail Reception
October 22
8:30-9:05
9:05-9:40
9:40-10:15
10:15-10:30
10:30-11:05
11:05-11:40
11:40-12:15
12:15-13:15
13:15-14:00
14:00-14:35
14:35-15:10
15:10-15:45
15:45-16:00
16:00-16:35
16:35-17:10
17:10-17:45
17:45-18:00
Alchemical Free Energy Simulations with Advanced Force Fields to Predict the Structure, Stability, and Solubility of Organic Crystals
Michael Schnieders - Associate Professor, The University of Iowa
Session 3 :CSP Industrial Applications
Going Beyond Lattice Energy Approximations In Solid Form Selection
Geoff Wood - Senior Principal Scientist, Pfizer
A Smorgasbord of Predictive and Analysis Tools for Crystal Structure
Sten Nilson Lill - Associate Principal Scientist, AstraZeneca
Coffee Break
Inconvenient Truths about Solid Form Landscapes
Susan Reutzel-Edens - Senior Research Advisor, Eli-Lilly
A Case Study of Successful Polymorph Prediction of a Salt Form
Jane Li - Vice President of Material Science, Pharmaron
CSP Panel Discussion
Moderator: Alexandre Tkatchenko,Professor, University of Luxemburg
Panelists:
Geoff Wood, Senior Principal Scientist, Pfizer
Susan Reutzel-Edens, Senior Research Advisor, Eli-Lilly
Robert A. DiStasio Jr. Assistant Professor, Cornell University
Lunch
Poster Session
Session 4 :AI and Machine Learning
A Machine Learning Approach for Pharmaceutical Solvate Prediction
Dongyue Xin - Principal Scientist, Boehringer Ingelheim
Discover the Ultimate Solution in the Dark Space: How Can AI Help Us
Lipeng Lai - Co-Founder, XtalPi
Prediction of Physical Properties and Safety of Chemicals and Materials: Methods and Applications
Alex Tropsha - Professor and Associate Dean, UNC Chapel Hill
Coffee Break
Approaching coupled cluster accuracy with a general-purpose neural network potential
Oles Isayev - Assistant Professor, Carnegie Mellon University
Using AI in Solid-Form Patent Strategies – Challenges and Opportunities
Eyal Barash - Pharmaceutical Patent Attorney, Barash Law LLC.
On the Challenges and Opportunities of Conducting Research in the Cloud
Patrick Combes - Worldwide Technical Leader - Healthcare and Life Sciences at Amazon Web Services
Concluding Remarks
Yuriy Abramov
October 20, Sunday
Pre-summit Workshop
14:30 - 16:00
Given the complexity of the pharmaceutical solid‐state landscape and challenges facing the pharmaceutical industry, computational methods can provide meaningful insights and guidance for the success of accelerated drug design.
During this workshop, the attendees learn about the state-of-the-art computational technologies developed by XtalPi that leverages cloud computing and AI to support crucial steps of solid form pharmaceuticals' design and development. That includes:
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virtual polymorph screening and stable solid form selection
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virtual design of solid form changes for properties improvement
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in silico screening of molecules for poor solubility improvement during lead optimization
With support from its solid form screening lab, XtalPi proposes an integrated approach to conduct prediction guided solid form screening and introduces a new workflow for the optimal efficiency of both experimental and in silico research. Multiple non-proprietary case studies will be presented.
There is no cost to attend but we ask that you clearly indicate the reason for attending the event and register using your industry or academic affiliation for all sessions that you plan to attend.
Workshop Objectives:
Showcase state-of-the-art in silico and experimental tools available to support commercial solid form design and outline a new workflow that integrates prediction with experimental screening for the optimal research efficiency.