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Generalized fragment-substructure based property prediction method
Matthew Clark
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peer-review
61
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Keyphrases
2D Structure
100%
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 Models
100%
Property Prediction
100%
Search Algorithm
50%
Structural Fragments
50%
Structure Search
50%
Substructure
100%
Target Molecule
50%
Training Set
50%
Water Solubility
50%
Chemistry
High Throughput Screening
50%
Logp
100%
Melting Point
100%
Pharmacokinetics
50%
Structure
50%
Biochemistry, Genetics and Molecular Biology
Computer Model
50%
Developmental Stage
50%
High Throughput Screening
50%
Melting Point
100%
Pharmacokinetics
50%
Pharmacology, Toxicology and Pharmaceutical Science
High-Throughput Screening
100%
Pharmacokinetics
100%