You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
All those carboxylic acids are carboxylates at physiological pH (presumably). I could just delete them from the SMILES string, but ideally it should be done programmatically before assembling the complex with stk.
All those carboxylic acids are carboxylates at physiological pH (presumably). I could just delete them from the SMILES string, but ideally it should be done programmatically before assembling the complex with stk.