3 ms·

Thanks for this very detailed answer!

• gus_massa 6y ago
  You may be interested in https://en.wikipedia.org/wiki/Quantitative_structure%E2%80%93activity_relationship https://en.wikipedia.org/wiki/Quantitative_structure%E2%80%9... It's a family of methods to try to predict the properties of molecules using computer, in particular from similar molecules. There are a thousand of variants that are useful in some cases. It can be used for an initial filtering or to get some ideas, but it can not replace [1] a clinical trial. [1] For now, and probably for a long time. Nobody know what will happen in a few decades/centuries.