COMA: efficient structure-constrained molecular generation using contractive and margin losses

Chemistry

• Structure 100%
• Molecule 100%
• Drug Discovery 80%
• Procedure 60%
• Chemical Property 40%
• Ablation 20%
• Sorafenib 20%
• Molecular Structure 20%
• Resistance 20%
• Optimization 20%
• Molecular Property 20%

Computer Science

• Generation 80%
• Generation Model 40%
• Structural Similarity 40%
• Optimization 20%
• Training Phase 20%
• Simulation Mode 20%
• Superior Performance 20%
• Reinforcement Learning 20%
• Vectors 20%
• Representation 20%

Pharmacology, Toxicology and Pharmaceutical Science

• Sorafenib 20%
• Drug Resistance 20%
• Lead 20%