Alice Capecchi

Hi Helen, are you using Windows? I am asking because unfortunately tmap (and therefore map4) does not work in Windows. Cheers, Alice

Hi Amir, I am not sure I understand what you mean with pointing it to another library. If you want to find analogs of a query molecule within a library...

Hi Amir, You cannot do it directly using map4.py. You would need to calculate the MAP4 fingerprint (for example using "map4.py") for your three compounds and for your 100k library....

Hi Mohammad, No, I am sorry, this is not possible in the current implementation of MAP4. It would be a very welcomed contribution. Cheers, Alice

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87