In silico / computational not generally available at this time in the evolution of testing. Mostly in situ - in vivo real world. Select in silico systems used in research currently not within the public domain except for some such as academic and select research models.
You do not define 'toxicity' which is a word that covers many fields, skin sensitisation, genetic toxicity, reprotox, ecotox, etc. So your question is impossible to answer simply. However, there are many Q(SAR) systems available, both free and subscription, than can predict many toxicological properties of substances. OECD Toolbox is a good place to start, although not so easy for a new user to operate. https://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm
Hi, as stated before, there are some challenges associated with in silico predictions in tox (see eg DOI: 10.1016/j.yrtph.2022.105311). Predictions for bacterial mutagenicity (Ames test) seem to be rather good compared to other endpoints.
Not that I know of.
Even the ADMET study in computational work is a prediction, though it may be very close to what we see in vivo or in vitro analysis.
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