MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products

Table 2 Summary of basic statistics for reactions in the dataset

Stat.^a	Dataset reaction conditions (c_qi)^b
Stat.^a	T (^oC)	T (h)	Load (%)
N_reacc	12	53	7
Avg	11.59	35.87	9.10
S.D	26.80	33.94	5.72
Min	− 78.00	1.00	2.00
Max	66.00	240.00	30.00
Range	144	239	28
Step	10	1	1
N_expr	14	239	28

^aStat. = Statistical parameters for the input parameters (operational conditions) of all the reactions present in our dataset: N_reacc = Number of reactions present in our dataset, Avg. = average value, S.D. = Standard deviation, Max. = maximum value, Min. = minimum value, Range = Max.—Min., Step = minimal change allowed in one experimental condition, N_expr. = Number of experiments (reactions) changing one condition and keeping the others constant
^bOperational conditions: T(^oC) = temperature, t(h) = reaction time, Load(%) = catalyst loading

ISSN: 1758-2946