Training Drug discovery
QSAR: from molecular data to predictive models
An 8-day live program on QSAR concepts and predictive model building, using Python and visual workflow tools on real-world data.
- 8 daysMon–Fri, live online
- 1 houra day, evening IST
- 8 modulesPython and KNIME
Next cohort
Dates to be announced
- Duration8 days
- ScheduleMon–Fri · 1 hour a day
- ModeLive online (Google Meet)
Curriculum
Build, validate and deploy QSAR models
Eight modules from QSAR concepts to complete visual workflows.
ChEMBLPubChemJupyterRDKitPythonPandasscikit-learnXGBoostMatplotlibSeabornKNIME
01
QSAR concepts, applications and workflow
What QSAR is and how a QSAR project runs.
02
Data collection and molecular formats
Collect compound data and work with molecular formats. Tools: ChEMBL, PubChem.
03
Python basics for QSAR
The Python you need for QSAR modeling.
04
Descriptor calculation
Calculate molecular descriptors. Tool: RDKit.
05
Data processing with Python and Pandas
Clean and prepare data for modeling. Tool: Pandas.
06
Model training
Linear regression, random forest, decision trees, XGBoost and MLP. Tools: scikit-learn, XGBoost.
07
Model validation and visualization
Validate models and visualize results. Tools: Matplotlib, Seaborn.
08
Visual QSAR pipelines
Create workflows visually and compare with Python. Tool: KNIME.
Who should apply
Eligibility
- Students in B.Sc., B.Tech., M.Sc., M.Tech. or PhD programs in life sciences or computer science
- Postdocs and research scholars
- Teaching and industry professionals
- Researchers and professionals in pharma, biotech, chemistry and data science
What’s included
Program benefits
- Live, instructor-led sessions
- Recordings of every session
- Workshop materials
- Certificate
- Online technical support after the workshop
Fees
Course fees
One fee covers all live sessions, recordings, materials and the certificate. Payment and registration open when the next cohort is announced.
| Category | India (INR) | International (USD) |
|---|---|---|
| Students (up to Master’s) | ₹2,000 | USD 40 |
| PhD scholars | ₹2,500 | USD 50 |
| Postdocs / research scholars | ₹2,750 | USD 55 |
| Staff / faculty | ₹3,000 | USD 60 |
| Industry professionals | ₹3,500 | USD 65 |
Teaching team
Course instructors
AADr. Ajitha AntonyBioinformatics Trainer, CBIRT
TADr. Tamanna AnwarFounder, CBIRT
Format
How the course runs
- DatesTo be announced
- SessionsMon–Fri, 1 hour a day (last cohort: 6:00–7:00 PM IST)
- PlatformGoogle Meet (live)
- Missed a session?Recordings provided
FAQ
Course questions
When does the next cohort start?
Dates are not announced yet. Click Notify me or message us on WhatsApp, and we’ll tell you when enrollment opens.
Do I need prior experience?
A basic understanding of bioinformatics is expected.
What will I need on my computer?
A computer running Windows 10/11, macOS or Linux, with a reliable internet connection. Google Meet runs in your web browser.
What if I miss a live session?
Every session is recorded, and you get access to the recordings.
Will I get a certificate?
Yes. The certificate is awarded on completing the course assignment.
Interested in QSAR Modeling?
Get notified when the next cohort opens, or ask us about prerequisites and fees.