. Author manuscript; available in PMC: 2020 Jan 10.

Published in final edited form as: J Comput Aided Mol Des. 2019 Jan 10;33(1):1–18. doi: 10.1007/s10822-018-0180-4

Table 7.

Correlations, in terms of Kendall’s t and Matthews correlation coefficient, of measured ligand-kinase K_d values with their respective measured percent inhibition values from the prior high-throughput screening study.

Target	Kendall’s τ	Matthews Corr. Coeff.
ABL1	0.24	−0.43
JAK SC2	0.76	0.54
JAK SC3	0.82	0.74
p38-α	0.77	0.83
TIE2	0.79	0.78
VEGFR2	0.82	0.72