What is
Cheminformatics
In Cheminformatics (sometimes referred to as
chemical informatics or Cheminformatics) focuses on
storing, indexing, searching, retrieving and applying
information about chemical compounds. Through
his use of Cheminformatics techniques—pattern
recognition and data visualization—to create the
period table, Dmitri Mendeleev (1834–1907) is often
credited as being one of the earliest Cheminformatics
scientists. Our Cheminformatics Training
Course contains detailed knowledge about the
different methods and techniques taught in a more
practical manner. Rasa conduct Cheminformatics
Training Online as well as in-class. By Learning
Cheminformatics Certificate Program ( Learn
Cheminformatics Online) you will have hands on
training on Computational Biology.
LEARN
ONLINE
Visit us: https://www.rasalsi.com/training-
details/cheminformatics-training-courses/
RASA LIFE SCIENCE INFORMATICS
16/6 Ground Floor Pinnac Apartment, Vakil Nagar,
Erandwane, Pune, Maharashtra 411052
FEATURES:
Weekdays Batch: Tuesday to Friday
(Daily 1hr in between 10AM to
6.30PM)
Weekend Batch: Saturday
(11AM to 1 PM or 2 PM to 5PM)
BATCHES:
Join Us
Industrial Training
in Cheminformatics
Industrial Training Certificate
1 Month of hands-on Practical
Training
Challenging Assignments for Better
Understanding
2 interview calls
100% Job Assistance
Backup sessions till training duration
Study material shred via online portal
(with 2 months access)
Pre-recorded sessions (with 2 months
acces)
SYLLABUS:
SECTION I-CHEMOINFORMATICS
1. Introduction to CI
●History and evolution of chemoinformatics
●Application of chemoinformatics in drug designing
2. Chemical databases
●PUBCHEM, DRUGBANK, ZINC
3. Chemical/protein structure representation
●File formats-SMILES, SDF, MOL2, pdb
4. Chemical Structure visualization-CHEMAXON-marvin
●Energy minimization with marvin
●Physical and chemical property(s) prediction with marvin
●Novel structure sketch and check with marvin
●Computation of Chemical structure search/similarity search
with marvin
5. ADMET studies
●Detailed study on ADMET
●ADMET prediction with server-ADMETSAR
●SWISS SIMILARITY and SWISS ADME
6. KNIME
●Substructure searching with KNIME
●Workflow for filtering compound using Element Filter
●Workflow for calculating XLogP
●Workflow for filtering molecule ( Lipinski rule of five)
●Workflow for calculating molecular property
●Workflow for calculating fingerprint similarity
●Workflow for substructure search
7. Structural similarity- PubChem, DrugBank, Marvin,
SwissSimilarity, Knime
8. Pharmacophore
●Designing pharmacophore
●Screening
FUTURE
SCOPE:
JOB
PROSPECTS
ACROSS
GLOBE:
A course in Chemoinformatics can help you
–
• To develop methods for performing
statistical analysis of large datasets.
• To develop methods for making and
storing data on molecular structures,
reaction mechanisms, molecular
interactions, etc.
• To work as researchers in the laboratory.
• It will even help you to identify chemical
properties and trends from large databases.
After completing the chemoinformatics
course you have the opportunity to work in
fields like-
• Bioinformatics
• Computational chemistry
• Materials science
• Pharmaceutical research
• Theoretical chemistry
• Chemoinformatics scientist
• Computational chemist
• Chemical data scientist
• Information analyst
• Information officer
• QSAR software tester
• Technical editor
• Research assistant

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Industrial Training In Chemoinformatics

  • 1. What is Cheminformatics In Cheminformatics (sometimes referred to as chemical informatics or Cheminformatics) focuses on storing, indexing, searching, retrieving and applying information about chemical compounds. Through his use of Cheminformatics techniques—pattern recognition and data visualization—to create the period table, Dmitri Mendeleev (1834–1907) is often credited as being one of the earliest Cheminformatics scientists. Our Cheminformatics Training Course contains detailed knowledge about the different methods and techniques taught in a more practical manner. Rasa conduct Cheminformatics Training Online as well as in-class. By Learning Cheminformatics Certificate Program ( Learn Cheminformatics Online) you will have hands on training on Computational Biology. LEARN ONLINE Visit us: https://www.rasalsi.com/training- details/cheminformatics-training-courses/ RASA LIFE SCIENCE INFORMATICS 16/6 Ground Floor Pinnac Apartment, Vakil Nagar, Erandwane, Pune, Maharashtra 411052
  • 2. FEATURES: Weekdays Batch: Tuesday to Friday (Daily 1hr in between 10AM to 6.30PM) Weekend Batch: Saturday (11AM to 1 PM or 2 PM to 5PM) BATCHES: Join Us Industrial Training in Cheminformatics Industrial Training Certificate 1 Month of hands-on Practical Training Challenging Assignments for Better Understanding 2 interview calls 100% Job Assistance Backup sessions till training duration Study material shred via online portal (with 2 months access) Pre-recorded sessions (with 2 months acces)
  • 3. SYLLABUS: SECTION I-CHEMOINFORMATICS 1. Introduction to CI ●History and evolution of chemoinformatics ●Application of chemoinformatics in drug designing 2. Chemical databases ●PUBCHEM, DRUGBANK, ZINC 3. Chemical/protein structure representation ●File formats-SMILES, SDF, MOL2, pdb 4. Chemical Structure visualization-CHEMAXON-marvin ●Energy minimization with marvin ●Physical and chemical property(s) prediction with marvin ●Novel structure sketch and check with marvin ●Computation of Chemical structure search/similarity search with marvin 5. ADMET studies ●Detailed study on ADMET ●ADMET prediction with server-ADMETSAR ●SWISS SIMILARITY and SWISS ADME 6. KNIME ●Substructure searching with KNIME ●Workflow for filtering compound using Element Filter ●Workflow for calculating XLogP ●Workflow for filtering molecule ( Lipinski rule of five) ●Workflow for calculating molecular property ●Workflow for calculating fingerprint similarity ●Workflow for substructure search 7. Structural similarity- PubChem, DrugBank, Marvin, SwissSimilarity, Knime 8. Pharmacophore ●Designing pharmacophore ●Screening
  • 4. FUTURE SCOPE: JOB PROSPECTS ACROSS GLOBE: A course in Chemoinformatics can help you – • To develop methods for performing statistical analysis of large datasets. • To develop methods for making and storing data on molecular structures, reaction mechanisms, molecular interactions, etc. • To work as researchers in the laboratory. • It will even help you to identify chemical properties and trends from large databases. After completing the chemoinformatics course you have the opportunity to work in fields like- • Bioinformatics • Computational chemistry • Materials science • Pharmaceutical research • Theoretical chemistry • Chemoinformatics scientist • Computational chemist • Chemical data scientist • Information analyst • Information officer • QSAR software tester • Technical editor • Research assistant