2024 Fall Semiannual Meeting Series

Presenter Name, Role, Affiliation

C-CAS PI Group

Title of Presentation

Andrew Smith, Graduate Student, UC Berkeley

Toste Group

General in silico representation enables transferrable reactivity across distinct catalysts

Gisela Gonzalez-Monteil, Postdoctoral Researcher, University of Notre Dame

Wiest Group

Chemical Information Extraction using LLMs

Dylan Anstine, Postdoctoral Researcher, Carnegie Mellon University

Isayev Group

Rapid Mechanistic Modeling of Reactions and Catalytic Cycles with Machine Learned Interatomic Potentials

Presenter Name, Role, Affiliation

C-CAS PI Group

Title of Presentation

Priyanka Raghavan, Graduate Student, MIT

Coley Group

Incorporating Synthetic Accessibility in Drug Design: Leveraging 15 Years of AbbVie Parallel Synthesis Library Data to Predict Suzuki Reaction Yields

Dmitry Eremin, Postdoctoral Researcher, Caltech

Yilli Shen, Graduate Student, University of Notre Dame

Nelson Group

Zhang Group

Adding Intelligence to Machine-Controlled Molecular Structure Elucidation

Natalie Romer, Graduate Student, University of Utah

Madeline Ruos, Graduate Student, UCLA

Sigman Group

Doyle Group

Machine learning-guided development of novel deoxyfluorination reagents

Presenter Name and Title

Affiliation

Title of Presentation

Janelle Steves, UC Chemical Development HTE and Predictive Chemistry Lead

Melissa Hardy, Predictive Chemistry Investigator

GlaxoSmithKline

TBD

Volker Settles

BASF

TBD

Presenter Name and Title

Affiliation

Title of Presentation

Stan Kolis, Executive Director – Chemistry, Synthetic Molecule Design & Development (SMDD)

Eli Lilly and Company

TBD

Jeremy Henle, Process Research and Development

AbbVie

TBD

Presenter Name and Title

Affiliation

Title of Presentation

TBD

TBD

TBD

TBD