Keyword: cheminformatics
Materials
- Data management in Medicinal Chemistry
- WorldFAIR Webinar: Chemistry and Nanomaterials case studies
- QSPRpred App: Predicting Molecular Initiating Event activation from chemical structure
- cpLogD: Predicting water-octanol distribution coefficient (logD) for chemical compounds
- SOM Prediction: Site-of-Metabolism prediction
- Information about chemicals (VHP4Safety cheminformatics)
- Groovy Cheminformatics with the Chemistry Development Kit
- Getting Started in Computational Chemistry (MolSSI)
- Introduction to MetFrag
- ChEBI: the online chemical dictionary for small molecules
- ChEMBL: quick tour
- UniChem: quick tour
- AI for Chemistry (EPFL CH-457)
- Deep Learning for Molecules & Materials
- TeachOpenCADD
- Introducing Cheminformatics: an intensive self-learning guide
- Cheminformatics OLCC (LibreTexts)
- Predicting EI+ mass spectra with QCxMS
- Jaqpot Hackathon: from bench to community as a web service (NanoCommons)