🧪Artificial Intelligence in Chemistry (Basic Science)

Basic Sciences & Environment · 11 units · free, no membership

1 Introduction to Artificial Intelligence in Chemistry: Roles, Boundaries, Validation and Ethics

2 Molecular Representation and Chemical Structure: Validation with SMILES, InChI and RDKit

3 Reaction Prediction and Mechanism: Product, Condition and Adverse Reaction Prediction

4 Spectrum Interpretation Support: NMR, IR and Mass Spectrometry

5 Literature Review and Synthesis Planning: Source, Procedure and Roadmap

6 Chemical Data Analysis and Python: pandas, Stoichiometry and Calibration

7 Molecular Property Prediction and QSAR: Resolution, pKa and Model Limits

8 Laboratory Documentation: Experiment Notebook, ELN and Reproducibility

9 Safety and Hazard Assessment: GHS, SDS and the Limits of Artificial Intelligence

10 Confirmation, Hallucination, and Scientific Integrity

11 Human in Experimentation: Ethics, Privacy, Responsibility and End-to-End Workflow

All trainings Start from unit 1