Published in:
179. M. Meloun, S. Bordovská: Benchmarking pKa prediction and algorithm validation for accurate pKa of drugs estimated from their molecular structures, Anal. Bioanal. Chem. 389 (2007) 1267 - 1281.
Input for QCEXPERT* |
Data for an analysis |
Output - Protokol |
Remark: It is recommended the *.xls sets not to display straight but to save them on the disk and then to open.
*Data are readable for computers with QCEXPERT only.