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CHEMINFORMATICS AND MEDICINAL CHEMISTRY - Coggle Diagram
CHEMINFORMATICS AND MEDICINAL CHEMISTRY
Chemistry and Information technology
Overview of pharmaceutical chemistry
Ligands and Targets
in-silico representation of chemical information
Computer-Aided Drug Design
Overview, Structural Homology Modelling Tools
Docking Tools and Screening Tools
Artificial intelligence in chemistry
Simulation methods for molecules and materials.
Anti-inflammatory agents
Tolmetin, Zomepriac, Diclofenac, Ketorolac
Ibuprofen*, Naproxen, Piroxicam, Phenacetin, Acetaminophen, Antipyrine, Phenylbutazone
Sodium salicylate, Aspirin, Mefenamic acid*, Meclofenamate, Indomethacin, Sulindac,
Structural molecular mechanism
in silico tools for medicinal chemistry (docking, MD, de novo drug design)
Organic reaction mechanism
coordination chemistry for drug design
Stereochemistry and mechanism
Logic in organic synthesis
QSAR
pharmacological screening
chemistry of drug action
Pharmaceutical Preformulation
Solid State Pharmaceutics
Drug metabolism
pharmacokinetics
pharmacodynamics.
Medicinal chemistry
History and development of medicinal chemistry
Physicochemical properties in relation to biological action Ionization
Solubility
Partition Coefficient
Hydrogen bonding, Protein binding, Chelation, Bioisosterism, Optical and Geometrical isomerism, Drug metabolism, Drug metabolism principles- Phase I and Phase II. Factors affecting drug metabolism including stereo chemical aspects
Chemical Databases
Chemical/biochemical data collation
retrieval
Data Mining
analysis and interpretation