As shown in Figure , the active learning approach benefits slightly from using larger atom environments (meaning bond path lengths of 5 or 7). These resulted in steeper MCC curves with also a slightly higher MCC plateau (MCC of approximately 0.52 when using a bond path length of 7 vs. 0.48 with a bond path length of 1 or 3). In terms of stability, a bond path length of 5 seems to be preferable over a bond path length of 7 (cp. Figure and), for which we conclude the optimum bond path length to be 5. This is consistent with the observations made for FAME 3. 3