Individual and collective human intelligence in drug design: evaluating the search strategy

Table 5 Results obtained by participants in the individual & collective search for specific, predefined target molecules in the chemical space

Target complex. level	Individual design						Collective design
Target complex. level	Target mol	Time played	Generated unique molecules	Scaffold/molecule ratio	Leader changes	Max score^a	Target mol	Time played	Generated unique molecules	Scaffold/molecule ratio	Leader changes	Max score	Target mol. evolution steps	Target mol. collaboration degree (%)
L1	T8	6H 24 m	2,402	0.184	6	1000	T9	2H 45 m	1,343	0.186	6	1000	9	100
L2	T13	16H 13 m	6,821	0.429	11	722	T32	7H 10 m	2,936	0.266	11	1000	20	50
L3	T15	9H 53 m	4,544	0.325	9	605	T14	9H 19 m	3,708	0.246	9	1000	23	50
L4	T19	27H 42 m	11,660	0.384	7	931	T20	7H 34 m	2,856	0.384	15	1000	20	87.5
L5	T45	11H 31 m	5,971	0.381	3	802	T44	19H 40 m	7,842	0.404	13	1000	29	100

Target molecules are classified by complexity level. The number of generated unique molecules is reported together with the scaffold/molecule ratio. Leader changes represent the number of times a new leader was recorded during an experiment. The max score is the highest score obtained in an experiment (max = 1000). Target molecule evolution steps is the number of different design sessions required to reach the target molecule. The target molecule collaboration degree is the percentage of experiment participants that are involved in the creation of the target molecule
^aThis is the molecular score visible by the participants in the application. It is different from the scores calculated for the de novo design benchmarks comparison

ISSN: 1758-2946