Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening

In: Journal of Cheminformatics, 10, 2018, Art. 9

A1, Article

DOI: https://doi.org/10.1186/s13321-018-0268-9

UHasselt Document Server: http://hdl.handle.net/1942/28686

Web of Science: 000427171200001