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Chemoinformatics at the University of Sheffield 2002–2014
Author(s) -
Gillet Valerie J.,
Holliday John D.,
Willett Peter
Publication year - 2015
Publication title -
molecular informatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.201500004
Subject(s) - cheminformatics , pharmacophore , fingerprint (computing) , similarity (geometry) , computer science , data mining , data science , artificial intelligence , machine learning , chemistry , computational chemistry , stereochemistry , image (mathematics)
This paper summarises work in chemoinformatics carried out in the Information School of the University of Sheffield during the period 2002–2014. Research studies are described on fingerprint‐based similarity searching, data fusion, applications of reduced graphs and pharmacophore mapping, and on the School’s teaching in chemoinformatics.