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#Cheminformatics

Showing: 28 courses
Broad Institute

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

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Explore automated molecule design using retrieval-augmented generative language models in drug discovery, presented by Andrew White from the University of Rochester.
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1 Lesons
21 minutes
On-Demand
Free-Video
School of Chemoinformatics in Latin America

Methods and Models for Chemical Toxicity Prediction - 2022

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Explore computational methods for predicting chemical toxicity, integrating structural alerts and QSAR models for comprehensive safety assessment of new compounds.
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12 Lesons
36 minutes
On-Demand
Free-Video
School of Chemoinformatics in Latin America

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

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Explore AI-driven drug discovery for neglected diseases with Dr. Carolina Horta, focusing on computational methods and QSAR models for identifying new drug candidates.
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1 Lesons
39 minutes
On-Demand
Free-Video
School of Chemoinformatics in Latin America

Cheminformatics in Natural Product-Based Drug Discovery - 2022

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Explore computational methods for predicting biological activities, metabolic fate, and toxicity of small molecules in natural product-based drug discovery.
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1 Lesons
41 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

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

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Explore ICM 3D Ligand Editor for advanced ligand docking, editing, and optimization techniques in molecular modeling and drug discovery.
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1 Lesons
1 hour
On-Demand
Free-Video
MolSoft Molecules in Silico

Mining in the Ultra-Large Library SAVI with Molsoft Tools

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Explore mining techniques in the ultra-large SAVI library using MolSoft tools, enhancing drug discovery and molecular analysis capabilities.
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1 Lesons
28 minutes
On-Demand
Free-Video
Broad Institute

Applying Machine Learning on Drug Discovery Projects

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Dive into practical applications of machine learning in drug discovery projects with insights from Relay Therapeutics' Chief Data Officer, Pat Walters.
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1 Lesons
43 minutes
On-Demand
Free-Video
Materials Cloud

Methods for Computational Biology and Drug Discovery

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Explore fundamental computational methods in physics and chemistry, presented by their creators, with insights into their development and applications.
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1 Lesons
2 hours 29 minutes
On-Demand
Free-Video
MICDE University of Michigan

Chemical Foundation Models for Drug Discovery

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Explore chemical foundation models for drug discovery, focusing on innovative approaches and potential breakthroughs in pharmaceutical research.
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1 Lesons
30 minutes
On-Demand
Free-Video
MICDE University of Michigan

Learning the Language of Chemistry

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Explore chemical language through AI, focusing on molecular transformations and retrosynthesis. Gain insights into cutting-edge applications in organic synthesis.
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1 Lesons
1 hour 3 minutes
On-Demand
Free-Video
Valence Labs

Synthesizability and Molecular Synthesis - Day 3

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Explore synthesizability and molecular synthesis techniques with Connor Coley, gaining insights into advanced drug discovery methods and machine learning applications.
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1 Lesons
1 hour 4 minutes
On-Demand
Free-Video
Valence Labs

Open-Source Initiatives and Benchmarking Efforts in Machine Learning for Drug Discovery - Day 5

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Explore open-source initiatives and benchmarking efforts in machine learning for drug discovery with Karmen Condic-Jurkic from Valence Labs.
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1 Lesons
1 hour
On-Demand
Free-Video
Valence Labs

Virtual Screening Techniques for Drug Discovery - Lab 1

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Explore virtual screening techniques for drug discovery through hands-on lab exercises guided by industry experts.
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1 Lesons
1 hour 23 minutes
On-Demand
Free-Video
Valence Labs

Virtual Screening Explanation - Lab 1

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Explore virtual screening techniques for drug discovery with experts Lu Zhu and Cas Wognum in this recorded session from the 2024 ML for Drug Discovery Summer School.
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1 Lesons
26 minutes
On-Demand
Free-Video
Valence Labs

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

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Explore cell morphology-guided de novo hit design using GANs conditioned on phenotypic image features for efficient bioactive molecule development in drug discovery.
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7 Lesons
49 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Application of Machine Learning Approaches to the Generation of Organic Compounds and Properties Prediction

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Explore machine learning techniques for generating organic compounds and predicting their properties, focusing on practical applications in theoretical physics and chemistry.
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1 Lesons
47 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Creating Complex Scientific Workflows that Reach into the Real World - IPAM at UCLA

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Explore laboratory automation and complex scientific workflows with ESCALATE software, focusing on experiment planning, data capture, and machine learning integration for halide perovskite synthesis.
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1 Lesons
49 minutes
On-Demand
Free-Video
Simons Institute

Open Challenges in AI for Molecular Design: Representation, Experimental Alignment, and Oracle Reliability

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Explore AI challenges in molecular design: representation, experimental alignment, and oracle reliance. Learn about new workflows and approaches to address real-world complexities in molecular discovery.
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1 Lesons
1 hour 4 minutes
On-Demand
Free-Video
Valence Labs

Lab 3 - De Novo Generation Explanation

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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.
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1 Lesons
1 hour 28 minutes
On-Demand
Free-Video
Valence Labs

LLMs in Drug Discovery - Day 5

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Explore the application of Large Language Models in drug discovery, focusing on innovative approaches and potential breakthroughs in pharmaceutical research.
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1 Lesons
57 minutes
On-Demand
Free-Video
Valence Labs

Harnessing Geometric ML for Molecular Design - Day 3

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Explore geometric machine learning techniques for innovative molecular design in drug discovery with expert Michael Bronstein.
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1 Lesons
1 hour 8 minutes
On-Demand
Free-Video
Valence Labs

Generative Models of Molecular Structures - Day 3

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Explore generative models for molecular structures, focusing on applications in drug discovery and computational chemistry.
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1 Lesons
55 minutes
On-Demand
Free-Video
Valence Labs

Machine Learning in Structure-Based Drug Discovery - Day 2

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Explore machine learning applications in structure-based drug discovery, focusing on innovative techniques and their impact on pharmaceutical research.
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1 Lesons
58 minutes
On-Demand
Free-Video
Valence Labs

Leveraging Molecular ML and Property Prediction in Drug Design

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Explore cutting-edge molecular machine learning techniques for drug design, focusing on property prediction to enhance pharmaceutical development.
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1 Lesons
38 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Preparing Chemical Libraries for Virtual Ligand Screening and Ligand Docking

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Master essential techniques for preparing chemical libraries and conducting virtual ligand screening using ICM-Pro, focusing on efficient ligand docking methodologies and computational analysis.
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1 Lesons
1 hour 3 minutes
On-Demand
Free-Video
Broad Institute

Generative AI for Drug Discovery Hit Identification and Optimization

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Discover how generative AI revolutionizes drug discovery through innovative hit identification and optimization techniques, presented by a leading expert in machine learning research.
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1 Lesons
23 minutes
On-Demand
Free-Video
Broad Institute

Machine Learning for Early Stage Drug Design - Property Prediction and Molecule Generation

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Explore cutting-edge applications of machine learning in early-stage drug design, focusing on property prediction and molecule generation techniques for pharmaceutical development.
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1 Lesons
21 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Structure-Based Virtual Ligand Screening with ICM-Pro

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Master structure-based virtual ligand screening techniques using ICM-Pro software, from project setup and file preparation to running screens, analyzing results, and creating hitlists.
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6 Lesons
1 hour 7 minutes
On-Demand
Free-Video