Workshop Registration End Date :2024-07-11

Virtual Workshop

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

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MODE
Virtual (Google Meet)
TYPE
Mentor Based
LEVEL
Beginners
DURATION
3 Days (1.5 Hours/Day)
Start Date
11 – Jul – 24
Time
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

  • Undergraduate degree in Environmental Science, Chemical Engineering, or related fields.
  • Professionals in the energy sector or agricultural industries.
  • Individuals with a keen interest in renewable energy and sustainable practices.

Important Dates

Registration Ends

2024-07-11
Indian Standard Timing 07:00 PM

Workshop Dates

2024-07-11 to 2024-07-13
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.


Fee Structure

Student

INR. 1399
USD. 50

Ph.D. Scholar / Researcher

INR. 1699
USD. 55

Academician / Faculty

INR. 2199
USD. 60

Industry Professional

INR. 2699
USD. 85

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Certificate

wsCertificate

  • 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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