scholarly journals ESeismic-GAN: A Generative Model for Seismic Events from Cotopaxi Volcano

Author(s):  
Felipe Grijalva ◽  
Washington Ramos ◽  
Noel Perez ◽  
Diego Benitez ◽  
Roman Lara ◽  
...  
Author(s):  
Roman Lara-Cueva ◽  
Paul Bernal ◽  
Maria Gabriela Saltos ◽  
Diego S. Benitez ◽  
Jose Luis Rojo-Alvarez

2020 ◽  
Vol 403 ◽  
pp. 107009 ◽  
Author(s):  
Adrian Duque ◽  
Kevin González ◽  
Noel Pérez ◽  
Diego Benítez ◽  
Felipe Grijalva ◽  
...  

2020 ◽  
Author(s):  
Yuyao Yang ◽  
Shuangjia Zheng ◽  
Shimin Su ◽  
Jun Xu ◽  
Hongming Chen

Fragment based drug design represents a promising drug discovery paradigm complimentary to the traditional HTS based lead generation strategy. How to link fragment structures to increase compound affinity is remaining a challenge task in this paradigm. Hereby a novel deep generative model (AutoLinker) for linking fragments is developed with the potential for applying in the fragment-based lead generation scenario. The state-of-the-art transformer architecture was employed to learn the linker grammar and generate novel linker. Our results show that, given starting fragments and user customized linker constraints, our AutoLinker model can design abundant drug-like molecules fulfilling these constraints and its performance was superior to other reference models. Moreover, several examples were showcased that AutoLinker can be useful tools for carrying out drug design tasks such as fragment linking, lead optimization and scaffold hopping.


2009 ◽  
Vol 20 (9) ◽  
pp. 2450-2461
Author(s):  
Mei WANG ◽  
Xiang-Dong ZHOU ◽  
Hong-Tao XU ◽  
Bai-Le SHI
Keyword(s):  

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