机器学习在材料研发中的应用
谢建新, 宿彦京, 薛德祯, 姜雪, 付华栋, 黄海友

Machine Learning for Materials Research and Development
XIE Jianxin, SU Yanjing, XUE Dezhen, JIANG Xue, FU Huadong, HUANG Haiyou
图12 编码与解码设计流程[135]
Fig.12 The materials reverse design process by encoding and decoding (SMILES—simplified molecular-input line-entry system)[135]