Molecular graph convolutions: moving beyond fingerprints
Journal of computer-aided molecular design, 2016-08, Vol.30 (8), p.595-608 [Peer Reviewed Journal]Springer International Publishing Switzerland 2016 ;ISSN: 0920-654X ;EISSN: 1573-4951 ;DOI: 10.1007/s10822-016-9938-8 ;PMID: 27558503
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