In Regard to The ALogP implementation

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