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

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

Published Online: 2018-03-07

Published Print: 2018-12

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Gladysz, Rafaela

Dos Santos, Fabio Mendes

Langenaeker, Wilfried

Thijs, Gert

Augustyns, Koen

De Winter, Hans https://orcid.org/0000-0002-4450-7677
Funding

Funding for this research was provided by:

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fonds Wetenschappelijk Onderzoek (12O5417N)
License Information

Text and Data Mining valid from 2018-03-07
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Article History

Received: 5 October 2016

Accepted: 20 February 2018

First Online: 7 March 2018

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