Data Science in Chemistry Course video course download, Start Out with Data Science in Chemistry and Cheminformatics: A Newcomer’s Guide. Start Out with Data Science in Chemistry and Cheminformatics offers a complete introduction to the key concepts and tools transforming the way we understand and manipulate chemical data.
Designed for newcomers, this course provides a hands-on approach to cheminformatics, bridging the gap between data science and chemistry through step-by-step tutorials, practical exercises, and real-world applications. You’ll learn how to use Python powerful libraries like RDKit to manage chemical data, visualize molecular structures, and explore essential cheminformatics techniques. By the end of this course, you’ll have a strong foundation in computational methods, data handling, and visualization, and be equipped to apply data science tools to solve complex chemical problems.
What you’ll learn
- The use of Data Science in Chemistry
- Structure Representation and SMILES
- Convert between Chemical File Formats
- Cheminformatics W/ RDKIT + py3Dmol
- Molecules Databases
- Data Scraping from Compound Databases using Python
- Visualizing and Manipulating Molecular Structure using Python
- Chemistry + Python
- Building Datasets with RDKit
- Using Python and essential cheminformatics libraries (RDKit, Openbabel, PubChemPy, and more)
- How to handle, analyze, and visualize chemical data
Course content
- Course Outline
- Data Science in Chemistry
- Molecular Model Types
- Structure Representation and Line Notation in Chemistry
- Chemical File Formats and Chemical File Conversion
- Setting up Python Environment
- Compound Database PubChem with Python
- Compound Database ChemSpider with Python
- Python Chemical Toolbox
- Interactivity in Notebook
Who this course is for:
- Cheminformaticians
- Chemists
- Computational Chemists
- Material Scientists
- Bioinformaticians
- Researchers
- Chemistry Graduate/Undergraduate Students
- Anyone interested in Chemistry, Data Science, and Programming
Course details
- Video quality: MP4 | Video: h264, 1280 × 720
- Audio quality: Audio: AAC, 44.1 KHz, 2 Ch
- Video duration: 5h 34m
- Update: 12/2024
- Number of lessons: 12 sections, 26 lectures
- Language: English
- Compressed file size: 2.04 GB