CHEMIINFORMATICS
Course Length : Regular - 90 Days, Fastrack - 60 Days
Course Start : For Details Call +91 9247716307,
Limited seats per batch
Course Location : Hyderabad, India
Contact Us : Call +91 9247716307
 

Syllabus

 
  • Introduction to cheminformatics
  • History and Evolution of cheminformatics,
  • Use of cheminformatics,
  • Prospects of cheminformatics,
  • Molecular Modeling and Structure Elucidation
  • Representation of Molecules Nomenclature
  • Different types of Notations
  • SMILES Coding
  • Matrix Representations
  • Structure of Molfiles and Sdfiles
  • Design of Chemical Databases,
  • Data Abstraction and Data Models
  • Structure databases
  • Reaction Databases
  • Literature Databases
  • Medline GenBank and PIR
  • CAS Registry
  • National Cancer Institute (NCI) Database
  • Searching Chemical Structure
  • Full structure search
  • sub structure & similarity
  • Three dimensional search methods
  • Basics of Computation of Physical and Chemical Data
  • structure descriptors
  • Prediction of Properties of Compounds
  • Quantitative Structure-Property Relations
  • Descriptor Analysis
  • Model Building
  • Modeling Toxicity
  • Computer Assisted Structure elucidations
  • Computer Assisted Synthesis Design
  • Introduction to drug design
  • Target Identification and Validation
  • Lead Finding and Optimization
  • Analysis of HTS data
  • Virtual Screening
  • Design of Combinatorial Libraries
  • Ligand-Based and Structure Based Drug design
  • Application of Cheminformatics in Drug Design
 

Overview

 
The course objectives are to introduce different methods of cheminformatics with particular emphasis on applications including modern drug discovery
 

Eligibility

 
  • Ph.Ds in any science discipline
  • Postgraduates with specialization in any of the areas of molecular biology, genetics, microbiology, structural biology, genetics, chemistry, physics, statistics and biotechnology.
  • B. Pharm, M. Pharm, MBBS, MD, BE/B. Tech, ME/M.Tech etc.
  • Final year students of the above courses as a part of fulfilling their project work.
  • Students looking for Research opportunities abroad.
  • Research Scholars in any areas of life & chemical sciences.
  • Bachelors in Biotechnology, Microbiology, Bioinformatics, Life sciences, Biochemistry, Zoology, Botany and related discipline.
 

Course Goal


The course will introduce the students preparing for professional work in chemistry must learn
How to retrieve specific information from the enormous and rapidly expanding chemical literature.
The course will provide a broad overview of the computer technology to chemistry in all of its manifestations
The course will expose the student to current and relevant applications in QSAR and Drug Design

Text Book
1 Andrew R. Leach, Valerie J. Gillet, Cluwer , Introduction to Cheminformatics, Academic
Publisher, Netherlands, 2003

Reference Books
1. Lisa B. English (Editor), Combinatorial Library Methods and Protocols, Humana Press Inc,
Volume:201, 2002
2. Frank Jen sen, Introduction to Computational Chemistry, Wiley Publisher, Second Edition,2006
 
 
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