Exploration of the structural differences between “safe” and ”unsafe” NSAIDs using 3D molecular similarity.

Keyphrases

• Non-steroidal Anti-inflammatory Drugs (NSAIDs) 100%
• Structural Difference 100%
• Molecular Similarity 100%
• Naproxen 69%
• Etoricoxib 60%
• Feature Similarity 50%
• Similarity Coefficient 40%
• Shape Similarity 40%
• Rofecoxib 40%
• 3D Similarity 30%
• Aromatic Ring 30%
• Ring-like Structures 20%
• 3D Structure 20%
• 3D Shape Similarity 10%
• Schrödinger 10%
• Low-similarity 10%
• Similarity Data 10%
• Adverse Effects 10%
• Full Matrix 10%
• Potential Gains 10%
• Similarity Structure 10%
• Steric Effect 10%
• Off-target Effects 10%
• Effect Mechanism 10%
• SMILES Strings 10%
• Chlorine Substituent 10%
• Low Energy 10%
• Visual Inspection 10%
• Systematic Literature Review 10%
• Safety Profile 10%
• 3D Features 10%
• Visualizer 10%
• Chlorine 10%
• Protonation State 10%
• PubChem 10%

Chemistry

• Nonsteroid Antiinflammatory Agent 100%
• Naproxen 69%
• Etoricoxib 60%
• Pirprofen 50%
• Rofecoxib 40%
• Aromatic Structure 30%
• Conformational Isomer 20%
• Steric Effect 10%
• protonation 10%

Pharmacology, Toxicology and Pharmaceutical Science

• Non-Steroidal Anti-Inflammatory Drug 100%
• Naproxen 69%
• Etoricoxib 60%
• Pirprofen 50%
• Rofecoxib 40%
• Adverse Event 10%