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
Online/ e-LMS
Mentor Based
Beginners
3 Days (1.5 Hours/Day)
18 – Jul – 24
08:00 PM onwards IST
About
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.
Workshop 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.
Workshop Structure
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
Participant’s Eligibility
- 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.
Important Dates
Registration Ends
2024-07-18
Indian Standard Timing 07:00 PM
Workshop Dates
2024-07-18 to 2024-07-20
Indian Standard Timing 08:00 PM onwards
Workshop 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.
Mentor Profile
Designation: Professor and Head
Affiliation: Shalom New Life College, Bengaluru, Karnataka
Dr. Md Afroz Alam is a Professor and Head in the Department of Bioinformatics, at Shalom New Life College, Bengaluru, Karnataka. He received his Ph.D. Degree in Bioinformatics from Jaypee University of Information Technology, Solan, Himachal Pradesh in 2009. Then he has worked as Assistant Professor, Head and Program Coordinator in the Department of Bioinformatics at Karunya Institute of Technology and Sciences (Deemed University) for 11 Years. He is having 14 years of teaching and research experience in the field of Bioinformatics. His area of expertise includes: Computer Aided Drug Design, Molecular Modeling and Simulation, QSAR and Pharmacophore modeling, Biostatistics, R programming, Unix and Linux. He is the author of 24 research articles, 2 Book Chapter, recipient of short-term research grants, workshop grants, and National Youth leader award by Ministry of Youth Affairs and Sports under the National Service Scheme, Government of India.
Fee Structure
Student
INR. 999
USD. 40
Ph.D. Scholar / Researcher
INR. 1199
USD. 45
Academician / Faculty
INR. 1599
USD. 50
Industry Professional
INR. 1999
USD. 75
List of Currencies
Certificate
- Access to Live Lectures
- Access to Recorded Sessions
- e-Certificate
- Query Solving Post Workshop
Future Career Prospects
- Cheminformatics Scientist
- Computational Chemist
- Pharmaceutical Researcher
- Biotechnologist
- Data Scientist in Drug Discovery
- Chemical Informatics Specialist
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