Novelty Algorithm Points the Way for Discovery in Organic Chemistry
In a recent review published in Nature Reviews Chemistry, Cronin group researchers describe how machine learning, coupled with real-time chemistry, is set to change the way chemists discover molecules, reactions and reactivity, as well as removing researcher bias. The systems discussed would remove the need to have an biased human chemist making judgements, in favour of searching chemical space using automation and algorithms. This approach will improve the probability of discovery, and promises to yield not only new molecules but also unpredictable and thus novel reactivity.