Introduction – Structure – Properties – Molecular Formats – SMILES – SMART – Mol – SDF – InChi – Molecular Representation – Chemsketch – Chemistry -42 – Automated De Novo Design – Scalable Engineering of Chemistry – Databases – Pubchem – Drug Bank – ZINC – ADME Constrains – Forcefields – Molecular Mechanics – Quantum Mechanics – Configurations – Boundaries – Confirmations – QSAR – Hansch Equation – Free Wilson Method – CoMFA – CoMSIA – Ligand – Based Drug Design –Molecular Annotation- Pharmacopore – Structure-Based Drug Design – Free-Energy Binding Analysis – 3-D Modeling – Proteins – Pharma AI – Panda Omics: Disease-Target Identification – Synthetic Biology – Prediction – In Clinico: Clinical Outcomes – Chemistry 42: Novel Lead Molecules -Virtual Screening – Docking – MD Simulation.
Programs
- M. Tech. in Automotive Engineering -Postgraduate
- Building Disaster Resilience and Social Responsibility through Experiential Learning: Integrating AI, GIS, and Remote Sensing -Certificate
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