[abhishaike]

>molecules get screened against tox targets

sure! i cover this in the essay, the purpose of this dataset is not just toxicity, but repurposing also

>toxicity of major metabolites

this is planned (and also explicitly mentioned in the article)

>no need to worry about CYP’s

again, this is about more than just toxicity

>volume of distribution

i suppose, but this feels like a strange point to raise. this dataset doesnt account for a lot of things, no biological dataset does

>advertisement

to some degree: it is! but it is also one that is free for academic usage and the only one of its kind accessible to smaller biopharmas

[pfisherman]

My main point of skepticism about repurposing is whether this is giving any of new and actionable information. It seems to be reliant on pre existing target annotations, and qualified targets already have molecules designed for them. Is the off-target effect strong enough to give you a superior molecule? Why not just start by picking a qualified target and committing to designing a better molecule without doing all the off target assay stuff first?