Tutorials in Chemoinformatics from @WileyGlobal has recently been added to the library eBook collection. This key resource includes 30 tutorials along with more than 100 exercises in chemoinformatics. The title explores essential topics and methods in the field, with a strong emphasis on problem-solving and computational methodologies.
Key subjects include:
- Data curation and standardization
- The design of diverse and focused libraries
- Development and use of chemical databases
- Implementation of algorithms in a high-level programming language
- Chemical data analysis and visualization
- 3D pharmacophores modeling and pharmacological profiling using shape analysis
- Structure-property/activity modeling (QSAR/QSPR)
- Ensemble modeling approaches, including bagging, boosting, stacking and random subspaces
- Structure encoding by molecular descriptors, text strings and binary fingerprints
- Protein-ligand docking
Tutorials in Chemoinformatics may be accessed through our eBook A-Z listing.