Persistent cohomology for data with multicomponent heterogeneous information Zixuan Cang, Guo-Wei Wei Persistent homology is a powerful tool for characterizing the topology of a data set at various geometric scales. When applied to the description of molecular structures, persistent homology can capture the multiscale geometric features and reveal certain interaction patterns in terms of topological invariants. However, in addition to the geometric information, there is a wide variety of non-geometric information of molecular structures, such as element types, atomic partial charges, atomic pairwise interactions, and electrostatic potential function, that is not described by persistent homology.
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Cite as: arXiv:1807.11120 [q-bio.QM] (or arXiv:1807.11120v1 [q-bio.QM] for this version)
