The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database

scientific article

The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/ACS.JMEDCHEM.7B00809
P698PubMed publication ID28712298

P50authorChristopher W MurrayQ81272451
Marcel L VerdonkQ90275314
Richard J HallQ96065453
P2093author name stringChristopher W Murray
Marcel L Verdonk
Richard J Hall
P2860cites workSMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
BIGCHEM: Challenges and Opportunities for Big Data Analysis in ChemistryQ28591396
P433issue14
P407language of work or nameEnglishQ1860
P921main subjectdatabaseQ8513
graph databaseQ595971
P304page(s)6440-6450
P577publication date2017-07-15
P1433published inJournal of Medicinal ChemistryQ900316
P1476titleThe Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database
P478volume60

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cites work (P2860)
Q64029909Enabling synthesis in fragment-based drug discovery by reactivity mapping: photoredox-mediated cross-dehydrogenative heteroarylation of cyclic amines
Q90056903In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery

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