Abstract
This monograph presents a new approach to quantum chemically based quantitative structure-to-activity/property (QSAR/QSPR) relationships. The key for good model construction is to have good experimental (activity or property) data for as many compounds as possible.
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Notes
- 1.
Quoted from an address Churchill gave in 1942 after Montgomery’s victory in the battle of El-Alamein in Egypt against Romel, a victory that began turning the tide of the second World War in favor of the Allies.
- 2.
We will use “activity” and “property” interchangeably and each implying the other from here on for the sake of simplicity.
- 3.
Since LDMs are symmetric and real they are diagonalizable.
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Matta, C.F., Ayers, P.W., Cook, R. (2024). Closing Remarks. In: Electron Localization-Delocalization Matrices . Lecture Notes in Chemistry, vol 112. Springer, Cham. https://doi.org/10.1007/978-3-031-51434-0_11
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DOI: https://doi.org/10.1007/978-3-031-51434-0_11
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