I have a relative who is a PhD chemist who I talked to about some of this stuff. He is generally skeptical of it because "the interesting chemicals are the ones

I have a relative who is a PhD chemist who I talked to about some of this stuff. He is generally skeptical of it because "the interesting chemicals are the ones that have extreme properties and predicting extreme properties is hard". It's a lot easier to model normal behavior than unusual behavior. He wasn't totally against the idea, he just thought it would be much harder than many people assume.