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**Molecule generation** trains models over SMILES strings, molecular graphs or three-dimensional**Molecule generation** trains models over SMILES strings, molecular graphs or three-dimensionalposes, then steers them with reinforcement learning or conditions them on a binding pocket.poses, then steers them with reinforcement learning or conditions them on a binding pocket.Insilico Medicine's 2019 report on the kinase DDR1 was the first widely noticed demonstration,[Insilico Medicine](https://aiwiki.ai/wiki/insilico_medicine)'s 2019 report on the kinase DDR1 was the first widely noticed demonstration,claiming designed inhibitors in weeks rather than months.[^zhavoronkov2019]claiming designed inhibitors in weeks rather than months.[^zhavoronkov2019] **Property prediction** estimates absorption, metabolism, cardiac ion-channel liability and toxicity**Property prediction** estimates absorption, metabolism, cardiac ion-channel liability and toxicitylines 105–111 → 105–11143 unchanged lines not shown
The rest of the first wave has behaved like ordinary pharmacology. DSP-1181 was announced in 2020 asThe rest of the first wave has behaved like ordinary pharmacology. DSP-1181 was announced in 2020 asthe first AI-designed molecule to enter a clinical trial and did not progress beyond phase 1; a laterthe first AI-designed molecule to enter a clinical trial and did not progress beyond phase 1; a laterExscientia oncology candidate was also dropped after early data. In 2024 Exscientia merged withExscientia oncology candidate was also dropped after early data. In 2024 Exscientia merged withRecursion, whose approach centred on high-throughput cellular imaging rather than generative[Recursion](https://aiwiki.ai/wiki/recursion_pharmaceuticals), whose approach centred on high-throughput cellular imaging rather than generativechemistry. Neither company had an approved drug at the time.chemistry. Neither company had an approved drug at the time. The neighbouring field of computational protein design has produced no approved medicine of its ownThe neighbouring field of computational protein design has produced no approved medicine of its ownremoved, struck through added, underlinedLine numbers count the serialised markdown of each revision, frontmatter included.
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