Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity

scientific article

Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/jcisd/SchneiderLSL15
P356DOI10.1021/CI5006614
P698PubMed publication ID25541888

P50authorNadine SchneiderQ42716411
Gregory A. LandrumQ42716526
P2093author name stringDaniel M Lowe
Nadine Schneider
Roger A Sayle
P2860cites workThe Protein Data Bank: a computer-based archival file for macromolecular structuresQ27860989
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
A Short Review of Chemical Reaction Database Systems, Computer-Aided Synthesis Design, Reaction Prediction and Synthetic FeasibilityQ38916874
P433issue1
P407language of work or nameEnglishQ1860
P921main subjectchemical reactionQ36534
fingerprintQ3745713
P304page(s)39-53
P577publication date2015-01-13
P1433published inJournal of Chemical Information and ModelingQ3007982
Virtual Special Issue ICCS/GCCQ52111429
P1476titleDevelopment of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity
P478volume55

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cites work (P2860)
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