QSPR modeling of alkanes properties based on graph of atomic orbitals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference7 articles.
1. Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants
2. QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs
3. Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants
4. Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants
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