Open-source QSAR models for pKa prediction using multiple machine learning approaches
Computational Chemistry Daily,
jcheminf.biomedcentral.com - The above described datasets from Options 1–3 were modeled using the SVM algorithm, and the…
jcheminf.biomedcentral.com - The above described datasets from Options 1–3 were modeled using the SVM algorithm, and the…
Recently we published on the curation of physicochemical data sets that were then made available as Open Data. The work was…
Next Tuesday, November 29th, I am leading a two hour workshop as described here: “The NC-ACS together with RTI International is…