My name is Oscar, a researcher from UAM, Spain. I´m novice at working with ChemAxon products. I wonder if Instant JChem or another ChemAxom software can serve to handle (import, edit, export) MLSMR datasets placed at
PubChem ftp site?
Thanks in advance,
I assume you are referring to the data files contained here:
If so, then yet, IJC can certainly be used to handle these. The compound and substance files are available as SD files which can be easily imported into IJC, and the bioassay data is available as CSV files that can also be imported.
The main prolem with these data files is that there are so many different files, they are very large in total size, and it is difficult to work out the contents of each of the bioasssay files.
However this is a very useful source of public data, and IJC is certainly a good way of working with them.
Thankyou for your accurate and quick response. As soon as I check it out I´ll let you know my results.