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• W2089521622 abstract "A partial distance-weighted variable anti-connectivity topological index was introduced for modelling pK a values of 31 aliphatic carboxylic acids and haloalkyl-carboxylic acids. The partial distance-weighted variable anti-connectivity index showed superior modelling capabilities compared with the index calculated from the complete graph, because it is capable of accounting correctly for the intramolecular interactions of unconnected vertices to specific bond strengths (active site), thereby improving the RMSCV error by about 30% (0.221 pK a units)." @default.
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• W2089521622 date "2013-07-01" @default.
• W2089521622 modified "2023-09-27" @default.
• W2089521622 title "Application of variable anti-connectivity index to active sites. Modelling p<i>K</i>_avalues of aliphatic monocarboxylic acids" @default.
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• W2089521622 doi "https://doi.org/10.1080/1062936x.2012.751552" @default.
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