Computational Drug Discovery and Pharma R&D
AI-driven drug discovery: DeepChem, RDKit, molecular ML, virtual screening, clinical trials analytics, and regulatory workflows 2025–2026.
Key Concepts
- Cheminformatics: RDKit, SMILES, molecular fingerprints
- DeepChem and molecular ML pipelines
- Graph neural networks for molecules
- Binding affinity prediction and virtual screening
- Lead optimization and ADMET
- Clinical trials: design, EDC, synthetic control arms
- Regulatory submissions and real-world evidence
📺 20 Curated YouTube Videos
▶ GNN for Molecular Classification
Code to Discovery
▶ ML Course
freeCodeCamp
▶ Neural Networks
Andrej Karpathy
▶ Data Science
freeCodeCamp
▶ Drug Discovery AI
Two Minute Papers
▶ FastAPI
freeCodeCamp
▶ ML from Scratch
Patrick Loeber
▶ Statistical Learning
StatQuest
▶ Scientific Python
SciPy
▶ NLP
freeCodeCamp
▶ Databases
Corey Schafer
▶ Pandas
Keith Galli
▶ Streamlit
Programming Is Fun
▶ Computer Vision
freeCodeCamp
▶ Python
freeCodeCamp
▶ Docker
Rishab in Cloud
▶ Backend
Corey Schafer
▶ Testing
Tech With Tim
▶ Async Python
ArjanCodes
▶ Data Science
Imarticus