Structure Seer: a machine learning model for chemical structure elucidation from node labelling of a molecular graph

Research output: Contribution to journal › Article › peer-review

Keywords

@article{3f63d91563164304954c4c89c7f13e02,

title = "Structure Seer: a machine learning model for chemical structure elucidation from node labelling of a molecular graph",

keywords = "Chemistry",

author = "Sapegin, \{Denis Andzheevich\} and Bear, \{Joseph C.\}",

year = "2024",

month = jan,

day = "1",

doi = "10.1039/D3DD00178D",

language = "English",

volume = "3",

pages = "186--200",

journal = "Digital Discovery",

issn = "2635-098X",

publisher = "Royal Society of Chemistry",

number = "1",

}

TY - JOUR

T1 - Structure Seer

T2 - a machine learning model for chemical structure elucidation from node labelling of a molecular graph

AU - Sapegin, Denis Andzheevich

AU - Bear, Joseph C.

PY - 2024/1/1

Y1 - 2024/1/1

KW - Chemistry

U2 - 10.1039/D3DD00178D

DO - 10.1039/D3DD00178D

M3 - Article

SN - 2635-098X

VL - 3

SP - 186

EP - 200

JO - Digital Discovery

JF - Digital Discovery

IS - 1

ER -