Chemography Concept in Chemical Space Analysis - 2022

Chemography Concept in Chemical Space Analysis - 2022

School of Chemoinformatics in Latin America via YouTube Direct link

Intro

1 of 25

1 of 25

Intro

Class Central Classrooms beta

YouTube videos curated by Class Central.

Classroom Contents

Chemography Concept in Chemical Space Analysis - 2022

Automatically move to the next video in the Classroom when playback concludes

  1. 1 Intro
  2. 2 Encoding chemical structures by molecular descrip
  3. 3 Data visualization: dimensionality reduction proble
  4. 4 Dimensionality reduction methods
  5. 5 Generative Topographic Mapping: algorithm
  6. 6 Probabilistic nature of GTM
  7. 7 GTM Density landscape
  8. 8 Density landscapes
  9. 9 Chemical analysis with density maps
  10. 10 Encoding a library by a vector using GTM landscape
  11. 11 Tunable ISIDA fragment descriptors
  12. 12 ChemSpace Atlas tool
  13. 13 Universal maps: application to virtual screening
  14. 14 Comparative analysis of (ultra)large chemical librari
  15. 15 Commercial vs Biologically relevant data
  16. 16 GTM class landscape for libraries comparison
  17. 17 Hierarchical GTM navigation of the chemical space
  18. 18 Generation and analysis of general-purpose DELS
  19. 19 Selection of DEL the best covering a reference library (ChEMBL) c
  20. 20 Linear vs chemographic property distribution
  21. 21 Autoencoder performing SMILES reconstruction
  22. 22 AutoEncoder: sampling using a seed vector
  23. 23 AutoEncoder chemical space: choice of a seed vect
  24. 24 Al-driven design of new chemical transformations
  25. 25 Al-driven design of new Suzuki-like reactions

Never Stop Learning.

Get personalized course recommendations, track subjects and courses with reminders, and more.

Someone learning on their laptop while sitting on the floor.