ACS PUBLICATIONS INDUSTRY WEBINAR

Real-World High-Throughput Experimentation (HTE)

Bridging the Gap Between Automation & Chemical Insight

On Demand

Webinar Overview

In this webinar, Dr. Georg Wuitschik, Vera Jost, and Dr. Marius Lutz, HTE scientists at Roche, share a comprehensive approach to high-throughput experimentation (HTE) that extends beyond routine screening. They walk through what HTE can do and highlight pitfalls, and how AI in their lab turbocharges plate design and the work of chemists outside.

Additionally, statistical methods, like z-score analysis across 66,000 reactions, are shared to demonstrate how they help identify reactivity patterns essential for accelerating small molecule development.

Key Takeaways:

Aggregated HTE-sourced data provides uniform high-quality data that can be mined for general starting conditions and gives rise to practical "cheat sheets" for reaction condition selection
HTE reduces implicit chemistry biases, enables data-driven decision making and accelerates drug discovery projects
Purposeful use of AI empowers chemists to design and interrogate analytic data faster

Register to watch the recording.

First Name*

Last Name*

Email Address*

Please use your business email. (e.g., yourname@company.com)

Country/Region*

Institution or Company*

Job Title*

Job Role

Career Level

Subscribe to ACS Industry Insider to receive free access to 5 curated articles per industry each month.

By selecting the industries below, I agree to receive email communications from the American Chemical Society (ACS Publications) about products and services, in accordance with the ACS Privacy Policy.

Agriculture, Food, & Environment

Biotech & Pharma

Education

Electronics

Energy & Transportation

Materials Science

SPEAKERS

Georg Wuitschik

Senior Principal Scientist

Roche, RoSL HTE Lab, Switzerland

Dr. Georg Wuitschik has been with Roche since 2011, contributing across a range of process research roles and, for the past six years, helping build Roche’s HTE capabilities as part of Team RoSL alongside Vera Jost and Dr. Marius Lutz. An organic chemist at heart—but willing to write code when needed—Georg is also a husband and father to three children, with a fourth on the way.

Vera Jost

Scientist

Roche, RoSL HTE Lab, Switzerland

Vera Jost began her journey at Roche in 2012 as an apprentice, followed by a nine-month rotation at Genentech in California. Since 2019, she has worked alongside Georg and Marius to build and continuously evolve the HTE lab from the ground up. Her passion lies in transforming complex automation technologies into seamless, user-friendly workflows that enable scientists to focus on the chemistry rather than the process.

Marius Lutz

Scientist

Roche, RoSL HTE Lab, Switzerland

Dr. Marius Lutz is a scientist in preclinical process research at Roche (Basel), where his team leverages HTE to accelerate the development of the company's preclinical small molecule portfolio. Marius’work focuses on integrating lab automation, programming, and streamlined data workflows to design and analyze automated reaction plates at scale.

AGENDA

TIME

SESSION

SPEAKER

05:00 CET

Welcome and Attendee Resources

ACS Publications Team

05:05 CET

From Request to Results: Best Practices and HTE Case Studies

Vera Jost

05:20 CET

Learning from Data: Z-Score Analysis of 66,000 Reactions

Dr. Marius Lutz

05:35 CET

What Have AI Agents Ever Done for HTE?

Dr. Georg Wuitschik

05:50 CET

Q&A

ACS Publications Team

Which Reaction Conditions Work on Drug-Like Molecules? Lessons from 66,000 High-Throughput Experiments

Research team at Roche introduces a robust statistical method using z-scores to analyze 66,000 internal HTE reactions on complex molecules. They publish the underlying data as well as a tool to analyze and draw actionable conclusions from this data set. They exemplify the power of this method for the widely employed Buchwald–Hartwig and Suzuki–Miyaura cross-coupling reactions. The results reveal optimal conditions that differ significantly from literature-based guidelines. These data-driven insights provide high-quality starting points for optimization campaigns, improving their overall efficiency. Read now.

HTE OS: A High-Throughput Experimentation Workflow Built from the Ground Up

HTE OS is a free, open-source high-throughput experimentation workflow that supports practitioners from experiment submission all the way to results presentation. A core Google Sheet is responsible for reaction planning and execution as well as for communication with users and robots. All generated data are funneled into Spotfire where users analyze it. Tools for parsing of LCMS data and translation of chemical identifiers provide data-wrangling capabilities to complete the workflow. Read Now.

Subscribe to ACS Industry Insiders

Sign up for ACS Industry Insiders to receive free, full-text access to five free articles monthly in the research areas that interest you. We handpick each article to bring you the most interesting and trending content.

Sign Up for Free