E-viri
Recenzirano
-
Zhavoronkov, Alex; Ivanenkov, Yan A; Aliper, Alex; Veselov, Mark S; Aladinskiy, Vladimir A; Aladinskaya, Anastasiya V; Terentiev, Victor A; Polykovskiy, Daniil A; Kuznetsov, Maksim D; Asadulaev, Arip; Volkov, Yury; Zholus, Artem; Shayakhmetov, Rim R; Zhebrak, Alexander; Minaeva, Lidiya I; Zagribelnyy, Bogdan A; Lee, Lennart H; Soll, Richard; Madge, David; Xing, Li; Guo, Tao; Aspuru-Guzik, Alán
Nature biotechnology, 09/2019, Letnik: 37, Številka: 9Journal Article
We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo small-molecule design. GENTRL optimizes synthetic feasibility, novelty, and biological activity. We used GENTRL to discover potent inhibitors of discoidin domain receptor 1 (DDR1), a kinase target implicated in fibrosis and other diseases, in 21 days. Four compounds were active in biochemical assays, and two were validated in cell-based assays. One lead candidate was tested and demonstrated favorable pharmacokinetics in mice.
Avtor
Vnos na polico
Trajna povezava
- URL:
Faktor vpliva
Dostop do baze podatkov JCR je dovoljen samo uporabnikom iz Slovenije. Vaš trenutni IP-naslov ni na seznamu dovoljenih za dostop, zato je potrebna avtentikacija z ustreznim računom AAI.
| Leto | Faktor vpliva | Izdaja | Kategorija | Razvrstitev | ||||
|---|---|---|---|---|---|---|---|---|
| JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP | |
Baze podatkov, v katerih je revija indeksirana
| Ime baze podatkov | Področje | Leto |
|---|
| Povezave do osebnih bibliografij avtorjev | Povezave do podatkov o raziskovalcih v sistemu SICRIS |
|---|
Vir: Osebne bibliografije
in: SICRIS
To gradivo vam je dostopno v celotnem besedilu. Če kljub temu želite naročiti gradivo, kliknite gumb Nadaljuj.