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2025 Data Chemistry OLCC

Module 1: OLCC Primer
Module 2: Introduction
- 2.1 PubChem Data Types
- 2.2 PUG-REST Activity
Module 3: Public Chemical Databases
- Module 1.1: Public Compound Databases
Module 4: Chemical Representations
Module 5: Searching Chemical Databases
Module 6: BioAssays
Module 7: Quantitative Structure Property Reationships
- Molecular Descriptors
Module 8: Molecular Similarity
Module 9: Computer-Aided Drug Discovery and Design
- Virtual Screening
Module 10: Supervised ML
- Machine Learning Basics
Appendices
- Introduction to Pandas

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Module 3: Public Chemical Databases

Module 3: Public Chemical Databases#

Module 1.1: Public Compound Databases — Survey of Public Chemical Databases

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2.2 PUG-REST Activity

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Module 1.1: Public Compound Databases

By Robert Belford

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