There are two there because each one is built on a different dataset, either PhysProp (https://t.co/SIbRPgDmoS) or an AZ dataset (https://t.co/CR9QxN40dG). The models based on the two datasets only moderately agree with each other, which could be a by-pro
OPERA models (https://t.co/thZTxbU1f7) for predicting physicochemical properties & environmental fate endpoints of toxic chemicals. Open source at github: https://t.co/Wk07JDDc78 https://t.co/VqHrb2XHts
A desktop version of the OPERA predictions (https://t.co/kVfDXv8EbM) for Physchem and Toxicity endpoints is available on github here: https://t.co/kcUjSLX3Ep. Includes pKa and logD prediction. @egonwillighagen
@egonwillighagen Looking at https://t.co/kVfDXvqf3k I see Kamel has an ORCID but not for all other authors. Possible to add post-production?