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Description
A comparative study 11 of 5 empirical pK a prediction tools (ACD/pK a DB ( Epik ( VCC ( Marvin ( and Pallas (www.compudrug.com)) on 248 compounds of the Gold Standard Dataset compiled by Avdeef 12 , demonstrated a tendancy for prediction errors to be higher for compounds with a larger number of possible tautomeric states

2012 Sep;41(5):547-52
M.LandfieldP

PMID: 32212359
