Abstract
Hydrogen bonding plays an important role in many chemical and biological processes, but this interaction is complex and has been difficult to quantify in correlation analysis. One of the better ways to describe hydrogen bonding strength is to use the thermodynamic parameters of H-bond formation: free energy (ΔG), enthalpy (ΔH), entropy (ΔS) and H-bond binding constant (K). These are connected to each other by the following relationships:
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Raevsky, O.A., Schaper, K.J., van de Waterbeemd, H., McFarland, J.W. (2000). Hydrogen Bond Contributions to Properties and Activities of Chemicals and Drugs. In: Gundertofte, K., Jørgensen, F.S. (eds) Molecular Modeling and Prediction of Bioactivity. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4141-7_26
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DOI: https://doi.org/10.1007/978-1-4615-4141-7_26
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