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BIO HELP LEARNING COURSE

AI & Cheminformatics in Drug Discovery

Drug Discovery
◉ All Levels◷ Self-Paced▣ Certificate Included

Course Information

Everything you need to know before enrolling.

Course schedule and delivery details will be announced soon.

Register for This Course

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Recorded Access Plan

Learn at your own pace with recordings

For Learners in India₹299
For International Learners$10
  • Complete course access (Live classes)
  • Hands-on training (Live)
  • Live class recordings access
  • Project guidance (Q&A support)
  • Certificate of completion
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About This Course

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What You’ll Learn

✓Understand the modern drug discovery pipeline.
✓Work with chemical data including SMILES and SDF files.
✓Calculate molecular properties and physicochemical descriptors.
✓Apply Lipinski’s Rule of Five for drug-likeness screening.
✓Generate molecular fingerprints and perform similarity searches.
✓Visualize small molecules and protein structures.
✓Generate 3D molecular conformers using RDKit.
✓Prepare proteins and ligands for molecular docking.
✓Perform molecular docking using AutoDock Vina.
✓Analyze docking scores and ligand binding poses.
✓Build basic cheminformatics workflows using KNIME.
✓Understand QSAR and machine learning approaches in drug discovery.
✓Build a Random Forest model for molecular property prediction.
✓Understand and predict ADMET properties.
✓Apply generative AI concepts to drug-like molecule generation.
✓Integrate cheminformatics, docking, machine learning, and AI into an end-to-end drug discovery workflow.
✓Present and interpret results from a mini drug discovery project. Bio Help Learning
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Tools & Technologies

PythonMinicondaRDKitPandasNumPyMatplotlibJupyter NotebookPubChemChEMBLPyMOLUCSF ChimeraAutoDock VinaKNIMEscikit-learnADMETLab
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Course Curriculum

5 Modules
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Your Instructor

Bio Help Learning educator

Bio Help Learning Educator

Bioinformatics Educator & Mentor

Learn from experienced educators and practitioners through practical, career-focused bioinformatics training.

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Student Reviews

★★★★★ 4.8/5
AV

“Excellent course! The content is practical and the projects made the concepts much easier to apply.”

Ananya VermaPhD Scholar, India★★★★★
RM

“Hands-on projects made all the difference. The guided workflow made the analysis easier to follow.”

Rahul MehtaResearch Associate, Germany★★★★★
SM

“Very detailed and practical content. I feel much more confident now.”

Sneha PatelBioinformatics Analyst, India★★★★★
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Frequently Asked Questions

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Who can join this bootcamp?⌄

Students, researchers, PhD scholars, biotechnology, pharmacy, chemistry, bioinformatics, computational biology, and life science learners can join.

Do I need prior knowledge to join?⌄

No specific prerequisite knowledge is required according to the course page. Bio Help Learning

How long is the bootcamp?⌄

The bootcamp is conducted over 5 days.

What is the session timing?⌄

Sessions are scheduled from 7:00–8:00 PM IST. Bio Help Learning

What is the mode of training?⌄

The bootcamp is conducted through live sessions.

Will I learn RDKit?⌄

Yes. RDKit is used for chemical data handling, molecular properties, fingerprints, conformer generation, and drug-likeness analysis.

Will molecular docking be covered?⌄

Yes. The bootcamp includes protein–ligand preparation, AutoDock Vina docking, docking scores, binding poses, and result analysis.

Which docking software will be used?⌄

AutoDock Vina is used for docking, with PyMOL or UCSF Chimera for visualization and analysis.

Will virtual screening be covered?⌄

Yes. The course covers chemical-space exploration, molecular fingerprints, similarity searching, and virtual screening concepts.

Will machine learning be covered?⌄

Yes. The bootcamp introduces QSAR modeling and machine learning using scikit-learn.

Which machine learning model will be taught?⌄

A Random Forest Regressor is used for molecular property prediction.

Will ADMET prediction be covered?⌄

Yes. ADMET concepts and practical prediction using ADMETLab are included.

Will generative AI be covered?⌄

Yes. The final session introduces AI-driven molecular generation using pre-trained generative models.

Will I work on a project?⌄

Yes. Each day includes project tasks that build toward a complete mini drug discovery project.

What will the final project include?⌄

The project integrates compound selection, screening, docking, QSAR/ML, ADMET prediction, and selection of potential lead compounds.

Will I receive a certificate?⌄

Yes. The course page states that a certificate is provided. Bio Help Learning

How will I receive the session joining link?⌄

The joining link is sent to the registered email on the day the sessions begin. Bio Help Learning

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