Cheminformatics Courses and Certifications

School of Chemoinformatics in Latin America

Cheminformatics-Driven Discovery of Hits for Neglected and Emerging Diseases - 2022

Explore AI-driven drug discovery for neglected diseases with Dr. Carolina Horta, focusing on computational methods and QSAR models for identifying new drug candidates.

• YouTube
• 39 minutes
• On-Demand
• Free Video

School of Chemoinformatics in Latin America

Cheminformatics in Natural Product-Based Drug Discovery - 2022

Explore computational methods for predicting biological activities, metabolic fate, and toxicity of small molecules in natural product-based drug discovery.

• YouTube
• 41 minutes
• On-Demand
• Free Video

MolSoft Molecules in Silico

Mining in the Ultra-Large Library SAVI with Molsoft Tools

Explore mining techniques in the ultra-large SAVI library using MolSoft tools, enhancing drug discovery and molecular analysis capabilities.

• YouTube
• 28 minutes
• On-Demand
• Free Video

Broad Institute

Automating Design of Molecules via Retrieval Augmented Generative Language Models - Broad Institute Machine Learning in Drug Discovery Symposium 2023

Explore automated molecule design using retrieval-augmented generative language models in drug discovery, presented by Andrew White from the University of Rochester.

• YouTube
• 21 minutes
• On-Demand
• Free Video

School of Chemoinformatics in Latin America

Methods and Models for Chemical Toxicity Prediction - 2022

Explore computational methods for predicting chemical toxicity, integrating structural alerts and QSAR models for comprehensive safety assessment of new compounds.

• YouTube
• 36 minutes
• On-Demand
• Free Video

MolSoft Molecules in Silico

ICM 3D Ligand Editor - Ligand Docking, Editing and Optimization

Explore ICM 3D Ligand Editor for advanced ligand docking, editing, and optimization techniques in molecular modeling and drug discovery.

• YouTube
• 1 hour
• On-Demand
• Free Video

MICDE University of Michigan

Learning the Language of Chemistry

Explore chemical language through AI, focusing on molecular transformations and retrosynthesis. Gain insights into cutting-edge applications in organic synthesis.

• YouTube
• 1 hour 3 minutes
• On-Demand
• Free Video

MICDE University of Michigan

Chemical Foundation Models for Drug Discovery

Explore chemical foundation models for drug discovery, focusing on innovative approaches and potential breakthroughs in pharmaceutical research.

• YouTube
• 30 minutes
• On-Demand
• Free Video

Materials Cloud

Methods for Computational Biology and Drug Discovery

Explore fundamental computational methods in physics and chemistry, presented by their creators, with insights into their development and applications.

• YouTube
• 2 hours 29 minutes
• On-Demand
• Free Video

Toronto Machine Learning Series (TMLS)

Introduction to Graph Neural Networks and Their Application in Drug Discovery

Learn about Graph Neural Networks and their application in drug discovery, exploring advanced techniques for molecular property prediction and drug-target interaction.

• YouTube
• 3 hours 10 minutes
• On-Demand
• Free Video

Valence Labs

ChiENN: Embracing Molecular Chirality with Graph Neural Networks

Explore Graph Neural Networks for molecular chirality in drug discovery. Learn about ChiENN, a novel approach to distinguish enantiomers and improve property predictions.

• YouTube
• 51 minutes
• On-Demand
• Free Video

Valence Labs

PoseBusters: Evaluating AI-based Docking Methods for Physical Validity

Explore PoseBusters: Evaluate AI-based protein-ligand docking methods for physical plausibility and accuracy. Learn why current deep learning approaches fall short of classical tools.

• YouTube
• 34 minutes
• On-Demand
• Free Video

Valence Labs

Cell Morphology-Guided De Novo Hit Design by Conditioning GANs on Phenotypic Image Features

Explore cell morphology-guided de novo hit design using GANs conditioned on phenotypic image features for efficient bioactive molecule development in drug discovery.

• YouTube
• 49 minutes
• On-Demand
• Free Video

Valence Labs

Lab 3 - De Novo Generation Explanation

Explore de novo molecule generation techniques with experts Emmanuel Bengio and Julien Roy in this recorded session from the 2024 Machine Learning for Drug Discovery Summer School.

• YouTube
• 1 hour 28 minutes
• On-Demand
• Free Video

Valence Labs

LLMs in Drug Discovery - Day 5

Explore the application of Large Language Models in drug discovery, focusing on innovative approaches and potential breakthroughs in pharmaceutical research.

• YouTube
• 57 minutes
• On-Demand
• Free Video