Cheminformatics Courses and Certifications

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
• Self-Paced
• Free Video

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
• Self-Paced
• 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
• Self-Paced
• Free Video

MolSoft Molecules in Silico

Structure-Based Virtual Ligand Screening with ICM-Pro

2 ratings

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.

• YouTube
• 1 hour 7 minutes
• Self-Paced
• Free Video

NPTEL-NOC IITM

Artificial Intelligence in Drug Discovery and Development

1 rating

Discover how AI revolutionizes pharmaceutical research, from molecular design to clinical trials, transforming traditional drug development processes.

• YouTube
• 2 hours 21 minutes
• Self-Paced
• 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
• Self-Paced
• 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
• Self-Paced
• Free Video

Manolis Kellis

Chemistry and Graph Neural Networks - Lecture 14

Dive into Graph Neural Networks (GNNs) and their applications in computational chemistry, exploring molecular structure analysis and chemical property prediction.

• YouTube
• 1 hour 17 minutes
• Self-Paced
• Free Video

MolSoft Molecules in Silico

Preparing Chemical Libraries for Virtual Ligand Screening and Ligand Docking

Master essential techniques for preparing chemical libraries and conducting virtual ligand screening using ICM-Pro, focusing on efficient ligand docking methodologies and computational analysis.

• YouTube
• 1 hour 3 minutes
• Self-Paced
• Free Video

MolSoft Molecules in Silico

Chemical Torsion Analysis in ICM-Pro Desktop Modeling Software

Explore chemical torsion analysis techniques in ICM-Pro Desktop Modeling Software, including GCNN-STP and GINGER conformer generator methods.

• YouTube
• 10 minutes
• Self-Paced
• 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
• Self-Paced
• Free Video

School of Chemoinformatics in Latin America

Integration then Interrogation: Exploratory Data Analysis on a Deadline - 2022

Explore strategies for efficient exploratory data analysis, focusing on visualization techniques, predictive modeling, and practical constraints in chemical biology datasets.

• YouTube
• 39 minutes
• Self-Paced
• Free Video

School of Chemoinformatics in Latin America

ChEMBL - Accessing Big Molecular Data via Web Interface and API

Explore ChEMBL's web interface and API to access extensive molecular data. Learn data-driven approaches for molecular design and computational toxicology.

• YouTube
• 1 hour 7 minutes
• Self-Paced
• Free Video

School of Chemoinformatics in Latin America

Chemography Concept in Chemical Space Analysis - 2022

Explore chemography in chemical space analysis, covering molecular descriptors, data visualization, and AI-driven design of chemical transformations. Learn from expert Alexandre Varnek.

• YouTube
• 36 minutes
• Self-Paced
• 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
• Self-Paced
• Free Video