Ontology highlight
ABSTRACT:
SUBMITTER: Zhao Y
PROVIDER: S-EPMC9214330 | biostudies-literature | 2022 Jun
REPOSITORIES: biostudies-literature
Zhao Yingjie Y Qin Jianshu J Wang Shijun S Xu Zhiping Z
Patterns (New York, N.Y.) 20220422 6
2D macromolecules, such as graphene and graphene oxide, possess a rich spectrum of conformational phases. However, their morphological classification has only been discussed by visual inspection, where the physics of deformation and surface contact cannot be resolved. We employ machine learning methods to address this problem by exploring samples generated by molecular simulations. Features such as metric changes, curvature, conformational anisotropy and surface contact are extracted. Unsupervis ...[more]