“…An informed threshold selection and/or descriptor pre-selection by experts with domain knowledge (e.g., in chromatography) can reduce the number of descriptors but will rely on personal experience and may be unintentionally biased. Therefore, a more rational definition of thresholds and descriptors would be helpful in this context as was also recently discussed in the context of small molecules and when comparing self-supervised and manually selected features [46] , [47] .…”