Przeglądaj Artykuły IChO PAN według afiliacji "Center for Soft and Living Matter, Institute for Basic Science (IBS), Ulsan, Republic of Korea"

Wyświetlanie pozycji 1-2 z 2

    • Computer-designed repurposing of chemical wastes into drugs 

      Wołos, Agnieszka; Koszelewski, Dominik; Roszak, Rafał; Szymkuć, Sara; Moskal, Martyna; Ostaszewski, Ryszard; Brezicki, Gordon; Samuel, Jonathon; McQuade, D. Tyler; Rogers, Luke; Grzybowski, Bartosz A.; Herrera, Brenden T.; Maier, Josef M.; Lummiss, Justin A. M. (Nature, 2022-04-27)
      As the chemical industry continues to produce considerable quantities of waste chemicals1,2, it is essential to devise ‘circular chemistry’3,4,5,6,7,8 schemes to productively back-convert at least a portion of these unwanted ...

    • Machine Learning May Sometimes Simply Capture Literature Popularity Trends: A Case Study of Heterocyclic Suzuki–Miyaura Coupling 

      Beker, Wiktor; Roszak, Rafał; Wołos, Agnieszka; Angello, Nicholas H.; Rathore, Vandana; Burke, Martin D.; Grzybowski, Bartosz A. (American Chemical Society, 2022-03-08)
      Applications of machine learning (ML) to synthetic chemistry rely on the assumption that large numbers of literature-reported examples should enable construction of accurate and predictive models of chemical reactivity. ...