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

作者：Arman A. Sadybekov, Anastasiia Sadybekov, Yongfeng Liu, Christos Iliopoulos‐Tsoutsouvas, Xi‐Ping Huang, Julie E. Pickett, Blake Houser, Nilkanth Patel, Ngan K. Tran, Fei Tong, Nikolai Zvonok, Manish K. Jain, Olena Savych, Dmytro S. Radchenko, Spyros P. Nikas, Nicos A. Petasis, Yurii S. Moroz, Bryan L. Roth, Alexandros Makriyannis, Vsevolod Katritch · 发表于：Nature · 年份：2021 · DOI：10.1038/s41586-021-04220-9 · 被引用次数：446 · 研究领域：Computational Drug Discovery Methods、Machine Learning in Materials Science、Chemical Synthesis and Analysis