MOGP predictions compared against experimental values (nm). Traffic light system indicates whether the molecules satisfied the criteria. Both criteria (bold) and one criterion (italic). All molecules satisfied at least one criterion. The model MAE was 22.7 nm for the E isomer π–π* and 21.6 nm for the Z isomer π–π*.

Switch	Model		Experimental
	E π–π*	Z π–π*	E π–π*	Z π–π*	Z PSS (%)	ca. t 1/2 (s)
1	456	368	446	355	90 (405 nm)	<5
2	459	377	441	356	96 (405 nm)	<1
3	457	377	399	331	66 (405 nm)	<10
4	463	373	445	357	94 (405 nm)	<1
5	471	381	450	370	68 (450 nm)	<1
6	460	368	451	360	92 (405 nm)	<30
7	467	369	534	n/a	n/a	n/a
8	450	359	465	376	87 (405 nm)	<10
9	453	369	468	399	60 (450 nm)	<10
10	453	363	471	398	15 (450 nm)	<1
11	453	360	452	379	88 (405 nm)	<1