Analysis of Drug like Small Molecule using ChemmineR: A Cheminformatics Toolkit for R
Unlocking the Power of Cheminformatics: Analyzing Drug-like Molecules with ChemmineR in R
Skills you will gain:
About Program:
ChemmineR is a cheminformatics package for analysing drug-like small molecule data in R. In addition, ChemmineR offers visualization functions for compound clustering results and chemical structures. The integration of chemoinformatic tools with the R programming environment has many advantages, such as easy access to a wide spectrum of statistical methods, machine learning algorithms and graphic utilities.
Aim: This 3-day workshop aims to equip participants with the essential skills and knowledge to effectively analyze drug-like small molecules using ChemmineR, a powerful cheminformatics toolkit for R. By the end of the workshop, attendees will proficiently predict physicochemical/structural properties, conduct structural similarity searching, and perform classification and clustering of compound libraries. Furthermore, participants will learn how to utilize visualization functions for interpreting compound clustering results and chemical structures.
Program Objectives:
- To predict the physicochemical/structural properties, structural similarity searching, classification and clustering of compound libraries
- To visualize the functions for compound clustering results and chemical structures.
What you will learn?
Day 1:
- Chemical databases and ChemmineR tool
- Overview of Chemical Databases
- Overview of ChemmineR tool
Day 2:
- Bioconductor package
- Overview of Bioconductor package
- Installation of Bioconductor package
Day 3:
- Chemical properties prediction and visualization
- Structural properties similarity searching
- Molecular visualization
Mentor Profile
Fee Plan
Get an e-Certificate of Participation!
Intended For :
- Graduate degree in Biology, Bioinformatics, Computational Biology, or related fields.
- Professionals in the biotechnology, pharmaceutical, or healthcare industries.
- Researchers and academics with a focus on molecular biology and structural biology.
- Individuals with a keen interest in AI applications in life sciences.
Career Supporting Skills
Program Outcomes
- Proficiency in analyzing drug-like small molecules using ChemmineR.
- Enhanced understanding of physicochemical properties and structural similarity searching.
- Ability to perform classification and clustering of compound libraries.
- Competence in visualizing compound clustering results and chemical structures.
- Hands-on experience in utilizing ChemmineR for cheminformatics analysis.