Table 2. Examples of conditioning vectors and their qualitative interpretation.

Condition vector	Qualitative interpretation
(0.75, 0.00)	Lower MXene-derivative score within the swept region and weakest A-site binding (lowest well curvature).
(0.85, 0.20)	Intermediate MXene-derivative score with moderate A-site well curvature in the explored range.
(0.95, 0.40)	Highest MXene-derivative score within the swept region and strongest A-site binding (highest well curvature).
(0.95, 0.00)	Highest MXene-derivative score within the swept region combined with weakest A-site binding (lowest well curvature).