日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Synthon-based ligand discovery in virtual libraries of over 11 billion compounds

基于合成子的配体发现,利用包含超过110亿种化合物的虚拟化合物库进行筛选。

Sadybekov, Arman A; Sadybekov, Anastasiia V; Liu, Yongfeng; Iliopoulos-Tsoutsouvas, Christos; Huang, Xi-Ping; Pickett, Julie; Houser, Blake; Patel, Nilkanth; Tran, Ngan K; Tong, Fei; Zvonok, Nikolai; Jain, Manish K; Savych, Olena; Radchenko, Dmytro S; Nikas, Spyros P; Petasis, Nicos A; Moroz, Yurii S; Roth, Bryan L; Makriyannis, Alexandros; Katritch, Vsevolod

Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds

用于生物活性化合物自动从头设计的生成式和强化学习方法

Korshunova, Maria; Huang, Niles; Capuzzi, Stephen; Radchenko, Dmytro S; Savych, Olena; Moroz, Yuriy S; Wells, Carrow I; Willson, Timothy M; Tropsha, Alexander; Isayev, Olexandr

Virtual discovery of melatonin receptor ligands to modulate circadian rhythms

虚拟发现褪黑激素受体配体来调节昼夜节律

Reed M Stein #, Hye Jin Kang #, John D McCorvy #, Grant C Glatfelter #, Anthony J Jones, Tao Che, Samuel Slocum, Xi-Ping Huang, Olena Savych, Yurii S Moroz, Benjamin Stauch, Linda C Johansson, Vadim Cherezov, Terry Kenakin, John J Irwin, Brian K Shoichet, Bryan L Roth, Margarita L Dubocovich3

SAR by Space: Enriching Hit Sets from the Chemical Space

空间 SAR:从化学空间丰富命中集

Franca-Maria Klingler, Marcus Gastreich, Oleksandr O Grygorenko, Olena Savych, Petro Borysko, Anastasia Griniukova, Kateryna E Gubina, Christian Lemmen, Yurii S Moroz