Illuminating the Interface of Blocc Chemistry and Data Science: Maximizing Function with ML-Guided Discovery and a Digital Molecule Maker
阐明块体化学与数据科学的交汇点:利用机器学习引导的发现和数字分子生成器最大化功能
期刊:Journal of Chemical Education
影响因子:2.9
doi:10.1021/acs.jchemed.5c00795
Green, Nolan M; Hammond, Rachel I; Planey, James; Angello, Nicholas H; Putnam, Jamie L B; Berry, Matthew; He, Wenqi; Chen, Emily; Nuñez-Corrales, Santiago; Loving, Danielle C; Wang, Wesley; Huang, Tina; Gunasekera, Bhagya; Marville, Kelly; Switzky, Rachel; Desmond, Serenity; Burke, Martin D