Chemography Concept in Chemical Space Analysis - 2022
Explore the concept of chemography in chemical space analysis through this 36-minute lecture by Professor Alexandre Varnek. Delve into topics such as encoding chemical structures, data visualization techniques, dimensionality reduction methods, and Generative Topographic Mapping (GTM). Learn about density landscapes, chemical analysis with density maps, and the application of GTM in virtual screening. Discover the comparative analysis of large chemical libraries, hierarchical GTM navigation, and the generation and analysis of DNA-encoded libraries. Examine the use of autoencoders in SMILES reconstruction and chemical space exploration. Gain insights into AI-driven design of new chemical transformations and Suzuki-like reactions. Benefit from Professor Varnek's extensive experience in chemoinformatics and molecular modeling as he shares his expertise in this comprehensive overview of chemography and its applications in chemical space analysis.