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Building Compound Archives for the Future
Author(s) -
Lewis Richard,
Deheuvels Joakim,
Ertl Peter,
Pirard Bernard,
Sirockin Finton
Publication year - 2016
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.201600042
Subject(s) - cover (algebra) , cheminformatics , fingerprint (computing) , data science , diversity (politics) , computer science , world wide web , engineering , artificial intelligence , biology , bioinformatics , political science , mechanical engineering , law
Will the targets of the future be covered by the compound libraries of today? This communication will cover a critical review of past strategies before turning to a new measure of diversity, protein pockets. A fingerprint descriptor for pockets will be described.