MATLAB for Chemists: Generative AI for Drug Discovery
| Session | Start Time | End Time |
|---|---|---|
| Webex Session 1 | 19 Nov 2025, 7:00 AM EST | 19 Nov 2025, 8:00 AM EST |
| Webex Session 2 | 19 Nov 2025, 1:00 PM EST | 19 Nov 2025, 2:00 PM EST |
Overview
Drug discovery is rapidly transforming with the integration of generative AI (GenAI), deep learning, and advanced cheminformatics workflows. In this webinar, you will see how MATLAB can serve as a unified platform to explore datasets, build predictive models, and connect molecular-level insights to pharmacokinetics and pharmacodynamics (PK/PD) simulations.
We will walk through a complete pipeline, from importing datasets (local or Databricks), processing and analyzing molecular data, training predictive AI models such as ChemBERT and Graph Convolutional Networks (GCNs), exploring generative modeling with ChemGPT, and linking results directly into PK/PD modeling in SimBiology.
Highlights
- Data Import & Processing
Import molecular datasets from local files or cloud sources (e.g. Databricks) and perform molecular similarity and clustering analysis (GPU accelerated) - Predictive AI Models
Apply ChemBERT and Graph Neural Networks (GCNs) for property regression (LogP, LogS) - Generative AI for Molecules
Explore ChemGPT for sequence-based generative design of molecules and combine the generative and predictive models for candidate prioritization - Integration with PK/PD Modeling
Connect AI-predicted molecular properties with SimBiology for bioavailability and plasma concentration simulations
Who Should Attend
This training session is designed for:
- Researchers and data scientists in pharma and biotech
- Computational chemists and bioinformaticians exploring AI in molecular design
- Undergraduate and graduate students and academics in chemistry
- Professionals seeking to learn about generative AI workflows for drug discovery
Product Focus
We will not sell or rent your personal contact information. See our privacy policy for details.
I understand that photographs and videos of me may be taken during this event. I give my permission to use these in any promotional materials for MathWorks.
You are already signed in to your MathWorks Account. Please press the "Submit" button to complete the process.
