In the w-ECFPs feature space, the most significant molecular sub-fragments identified are: (i) an aromatic carbon (C) atom with three bonds within a ring, (ii) an aromatic C atom with a single hydrogen (H) atom, forming part of a ring structure with two connections, (iii) a structural pattern where a chlorine (Cl) atom, acting as a functional group, is singlebonded to a C atom that is part of a ring and connected to three other atoms, (iv) a molecular fragment containing a Cl atom that is not incorporated into a ring structure, (v) a configuration of C atoms in a ring where two C atoms, each bonded to one H atom, have two connections and are linked through a C atom that is part of an aromatic ring with three connections, and (vi) an aromatic C atom in a ring connected to three other atoms, which is single-bonded to a Cl atom (not part of a ring and connected only to one atom), and is also double-bonded to another aromatic C (which is part of the same ring and has three connections); this second aromatic C is further doublebonded to another aromatic C, which is also part of the ring, bears one H atom, and is connected to two other atoms. There was no indication that temperature was an important feature in any feature-importance analyses. This is likely due to the narrow range of temperatures, centered around room temperature, in which all measurements were taken. The dataset includes temperature readings with a mean of 296.6 K and standard deviation of 6.1 K, indicating moderate variability. More statistical information can be found in Figure .