The AI Drug Discovery Practitioner: From Molecular Data to AI Agents series is a mentor-guided, live training program designed to build practical skills in AI-driven drug discovery workflows. Delivered as a bundled program, it covers the essential stages of early-stage AI drug discovery through three focused, hands-on workshops.
👩🎓Enrollment Options: Learners may enroll in individual workshops or choose the complete three-workshop series: https://forms.gle/bntZVsbD7mS5cPn89
Part I: Molecular Data Engineering: From ChEMBL to ML-Ready Libraries
📅 Date: August 24 - August 26, 2026 🕒Time: 9:30 PM IST | 11:00 AM CDT
Retrieve molecular and bioactivity data from public databases
Find compounds, protein information and bioactivity data for a target
Clean and organize chemical datasets by identifying common data issues
Work with SMILES, molecular fingerprints, and common chemical file formats
Create a clean, organized dataset for AI applications
Tools & Technologies Covered: ChEMBL; PubChem; UniProt; Protein Data Bank; AlphaFold DB
Part II: Predict Before You Synthesize: Machine Learning for Molecular Properties & ADMET
📅 Date: September 28 - September 30, 2026 🕒Time: 9:30 PM IST | 11:00 AM CDT
Predict molecular properties using pre-trained machine learning models
Interpret predict results, confidence scores and model limitations
Search for similar compounds using molecular similarity
Predict ADMET properties using online AI tools
Navigate GitHub to discover open-source drug discovery tools
Tools & Technologies Covered: RDKit; DeepChem; Google Colab; ADMETlab; SwissADME; ChEMBL; GitHub
Part III: AI-Augmented Chemist: Building LLM Workflows for Drug Discovery
📅 Date: October 26 - October 28, 2026 🕒Time: 9:30 PM IST | 11:00 AM CDT
Write prompts for chemistry-related tasks
Create prompts for molecular property and drug-likeness assessment
Use SMILES notation in AI prompts
Design multi-step prompt workflows for molecular evaluation
Verify AI responses using fact-checking and verification strategies
🎖️Certification: Participants will receive a certificate for each workshop completed. Those who enroll in and complete all three workshops will also receive an additional program-level certificate.
🔗 Register to access the complete curriculum and receive assistance from our team: https://forms.gle/bntZVsbD7mS5cPn89
For queries, contact us at communication@omicslogic.com / support@omicslogic.com.