Figure 28.

Applications of committee models for GPR predictions. Two examples are shown: (a) the prediction of the Raman spectrum of paracetamol form I;²⁰³ (b) the prediction of the melting point of water²⁰⁴ by determining the difference in chemical potential, μ, of hexagonal ice (“Ih”) and the liquid phase (“L”), and defining the zero intersect as corresponding to the melting temperature. Panel a is adapted from ref (203), where the original figure is published under the CC BY 3.0 license (https://creativecommons.org/licenses/by/3.0/); panel b is adapted from ref (204). Copyright 2021 AIP Publishing.