Start Out with Data Science in Chemistry and Cheminformatics: A Newcomer’s Guide
Dive into the exciting world of data science in chemistry with this comprehensive beginner-friendly course! 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.
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.
Course Content
- Course Outline –> 1 lecture • 4min.
- Data Science in Chemistry –> 1 lecture • 15min.
- Molecular Models Types –> 1 lecture • 12min.
- Structure Representation and Line Notation in Chemistry –> 2 lectures • 17min.
- Chemical File Formats and Chemical File Conversion –> 3 lectures • 22min.
- Setting up Python Environment –> 2 lectures • 16min.
- Compound Database PubChem with Python –> 2 lectures • 24min.
- Compound Database ChemSpider with Python –> 1 lecture • 18min.
- Python Chemical Toolbox –> 2 lectures • 22min.
- Interactivity in Notebook –> 3 lectures • 47min.
- Cheminformatics @ Home –> 7 lectures • 2hr 17min.
- BONUS –> 1 lecture • 1min.
Requirements
Dive into the exciting world of data science in chemistry with this comprehensive beginner-friendly course! 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.
Whether you’re a student, researcher, or professional seeking to expand your skill set, this course is the perfect entry point to the dynamic fields of data science and cheminformatics.
What You’ll Learn:
- Fundamentals of data science and its applications in chemistry
- Using Python and essential cheminformatics libraries (RDKit, Openbabel, PubChemPy, and more)
- How to handle, analyze, and visualize chemical data
- Generating, storing, and managing molecular structures
- Applications of data science to solve real-world chemistry challenges
Who Should Enroll: This course is ideal for chemistry students, researchers, and professionals with basic python syntax understanding. If you’re interested in learning how data science can open new possibilities in chemical research and development, this course is designed with you in mind. Join us and start your journey in data science and cheminformatics today!