An Example Application For Machine Learning-Assisted Retrosynthesis


Şahin G., Kalaycı M. E., Turhan K.

15.TIP BİLİŞİMİ KONGRESİ, Trabzon, Türkiye, 30 - 31 Mayıs 2024, ss.223-224

  • Yayın Türü: Bildiri / Özet Bildiri
  • Basıldığı Şehir: Trabzon
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.223-224
  • Karadeniz Teknik Üniversitesi Adresli: Evet

Özet

Products with different ingredients are needed for the treatment of various diseases. One of the most commonly used methods to obtain these products is organic synthesis. Although organic synthesis has a history of 190 years, it is not fast enough to discover new drugs and materials. Expert knowledge is relied upon in the process of determining synthetic routes that will result in the target product. This situation causes to prolong the discovery process and increase the incurred expenses in this direction. To overcome this problem, the discovery of synthetic routes has become different with the developing machine learning technologies. One of the important points in the discovery of new molecules lies in well-designed and applicable retrosynthetic routes. The aim of retrosynthesis work is to design synthetic routes from the target molecule to the starting materials. When the literature was examined within the scope of the research, it was seen that machine learning-supported retrosynthesis studies were still in their early stages. It is thought that the study conducted in this direction will help chemists find better synthesis routes that will reach the target product more quickly.