math.AT cond-mat.mtrl-sci cs.CG math.MG stat.ML 55N31, 68U05, 92E10, 62H30, 55U10 G.2.2; I.1.1; I.5.3; J.2
A cohomology-based Gromov-Hausdorff metric approach for quantifying molecular similarity
JunJie Wee Xue Gong Wilderich Tuschmann Kelin Xia