Topology-Aware Generation and Activity-Based Filtering: A Computational-Experimental Framework for Data-Scarce Quaternary Ammonium Compound Discovery
拓扑感知生成和基于活动的过滤:一种用于数据稀缺的季铵化合物发现的计算实验框架
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.6c00390
Ghaemi, Shiva; Consylman, Amanda; Pan, Bo; Wu, Alice; Petersen, Ashley; Chang, Gabe; McDonough, Diana; Forman, Mark; Bezold, Elise L; Wuest, William M; Shehu, Amarda; Zhao, Liang; Minbiole, Kevin P C