Generalized fragment-substructure based property prediction method

Keyphrases

• 2D Structure 100%
• Accurate Predictor 50%
• Clinical Development 50%
• Correlation Coefficient 50%
• Diverse Data 50%
• Fragment Orientation 50%
• High-throughput Screening 50%
• In Silico Screening 50%
• Partial Least Squares Structural Equation Modeling (PLS-SEM) 50%
• Pharmacokinetics 50%
• Prediction Method 100%
• Predictive Model 100%
• Property Prediction 100%
• Search Algorithm 50%
• Structural Fragments 50%
• Structure Search 50%
• Substructure 100%
• Target Molecules 50%
• Training Set 50%
• Water Solubility 50%

Chemistry

• High Throughput Screening 50%
• Logp 100%
• Melting Point 100%
• Pharmacokinetics 50%
• Water Solubility 50%

Pharmacology, Toxicology and Pharmaceutical Science

• High-Throughput Screening 100%
• Pharmacokinetic 100%