We have used the mapper algorithm, a TDA method that creates low-dimensional representations of data, to create a network visualization of the solubility space. 
TDA
We have used the mapper algorithm, a TDA method that creates low-dimensional representations of data, to create a network visualization of the solubility space. 
mapper algorithm
A parallel representation of the chemical space was generated using persistent homology applied to molecular graphs.  The use of persistent homology on molecular graphs, extended by the use of norms on the associated persistence landscapes allow the conversion of discrete shape descriptors to continuous ones, and a perspective of the application of these descriptors to quantitative structure property relations is presented.
persistent homology
A parallel representation of the chemical space was generated using persistent homology applied to molecular graphs.  The use of persistent homology on molecular graphs, extended by the use of norms on the associated persistence landscapes allow the conversion of discrete shape descriptors to continuous ones, and a perspective of the application of these descriptors to quantitative structure property relations is presented.
molecular graphs