Use the Inductive Bio connector for ADMET predictions
Predicts LogD and pKa for molecules you describe as SMILES, after first checking which models are available to your account. It treats results as model estimates for ranking candidates and does not claim measured absorption.
Use it when
- You want LogD or pKa predictions for a list of molecules
- You are comparing a parent drug with designed analogues
- A prediction call fails with a sign-in or invalid-structure error
Tools it uses
list_available_modelspredict_properties
Predict LogD and pKa for enalapril and two of my analogues, and tell me which analogue to prioritise.
I checked the available models first and used the LogD and pKa models listed for your account. Enalapril and both analogues returned values; one SMILES failed to parse, so I have flagged it and asked you to confirm the structure. Your analogue B shows a LogD closer to the range you want, but these are model estimates for ranking, not measured absorption.