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A combined group contribution and molecular geometry approach for predicting melting points of aliphatic compounds
Luwei Zhao,
Samuel H. Yalkowsky
Pharmacology and Toxicology
Research output
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Contribution to journal
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Article
›
peer-review
65
Scopus citations
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Dive into the research topics of 'A combined group contribution and molecular geometry approach for predicting melting points of aliphatic compounds'. Together they form a unique fingerprint.
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Keyphrases
Group Contribution
100%
Molecular Geometry
100%
Aliphatic Compounds
100%
Geometric Approach
100%
Geometric Parameters
50%
Correction Factor
25%
Prediction Accuracy
25%
Training Set
25%
Root Mean Square Error
25%
Multiple Regression
25%
Contributory Factors
25%
Average Absolute Error
25%
Melting Entropy
25%
Point Prediction
25%
Point Data
25%
Walden Rule
25%
Chemistry
Melting Point
100%
Molecular Geometry
100%
Aliphatic Compound
100%
Enthalpy
20%
Earth and Planetary Sciences
Enthalpy
100%
Root-Mean-Square Error
100%
Multiple Regression
100%
Engineering
Melting Point
100%
Geometric Parameter
40%
Root Mean Square Error
20%
Average Absolute Error
20%
Mathematics
Absolute Error
20%