iSIM: instant similarity

The quantification of molecular similarity has been present since the beginning of cheminformatics. Although several similarity indices and molecular representations have been reported, all of them ultimately reduce to the calculation of molecular similarities of only two objects at a time. Hence, t...

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Veröffentlicht in:	Digital discovery 2024-06, Vol.3 (6), p.116-1171
Hauptverfasser:	López-Pérez, Kenneth, Kim, Taewon D, Miranda-Quintana, Ramón Alain
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry
Online-Zugang:	Volltext
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