This is a hugely complex topic that I am not really qualified to...

This is a hugely complex topic that I am not really qualified to comment on. AI will certainly play a major role in drug development, but if this will happen before the Singularity or not I can't say. Derek Lowe from In the Pipeline is rather skeptical https://www.science.org/content/blog-post/ai-drugs-so-far

I can highly recommend reading Derek Lowe's blog if you want to learn more about the whole drug discovery process. He has an amazing amount of insight that is hard to find elsewhere and he is quite an entertaining writer - his "things I won't work with" series is fantastic - the one on FOOF is legendary https://www.science.org/content/blog-post/things-i-won-t-work-dioxygen-difluoride