@article{article, title  = {{Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework}},

 url = {{https://eprints.whiterose.ac.uk/141609/ }},

 year = {{2019}},

 month = {{1}},

 author = {{Seddon MP and Cosgrove DA and Packer MJ and Gillet VJ}},

 doi = {{10.1021/acs.jcim.8b00676}},

 volume = {{59}},

 journal = {{Journal of Chemical Information and Modeling}},

 issue = {{1}},

 pages = {{98-116}},

 note = {{Accessed on 2024/12/28}}}