Hi all,
I am new to Pipeline Pilot (PLP), and I have a few questions. I cannot access the paper that describes the algorithm currently employed.
1) Could you please point me to it? Or to a document that explains how the LogP algorithm is implemented in Pipeline Pilot?
2) Does Pipeline pilot implements other LogP algorithms?
I also read in the brochure a user could learn a new ALogP model using their own data. This would be helpful to me if I wanted to include a new series of compounds that I suspected might not be covered in the PLP original training set (or fragment library) for instance.
2) Does PLP have a way of deriving LogP contributions for new fragments that are missing in their default library?
3) In case of new fragments: Does PLP add those (in addition to their individual contribution) to the default library so that they be considered when using my new AlogP model?
I would greatly appreciate clarifications on this subject, as it is important for me to understand the current implementation as well as the re-training process.
Thank you very much for your consideration.
Best,
Yannick