Journal of Chemical Information and Modeling, volume 63, issue 5, pages 1462-1471

Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties

A. McNaughton ¹

Rajendra P. Joshi ¹

Carter R. Knutson ¹

Anubhav Fnu ¹

Kevin J. Luebke ²

Jeremiah P. Malerich ²

Peter B. Madrid ²

Neeraj Kumar ¹

Show full list: 8 authors

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Pacific Northwest National Laboratory, Richland, Washington 99354, United States |

SRI International, 333 Ravenswood Avenue, Menlo Park, California 94025, United States |

Publication type: Journal Article

Publication date: 2023-02-27

American Chemical Society (ACS)

Journal: Journal of Chemical Information and Modeling

scimago Q1

SJR: 1.396

CiteScore: 9.8

Impact factor: 5.6

ISSN: 15499596, 1549960X

DOI: 10.1021/acs.jcim.2c01662

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CITATIONS

27 Total citations

27 Recent citations

8.67 Field Citation Ratio

1.38 Relative Citation Ratio

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GOST |

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GOST Copy

McNaughton A. et al. Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties // Journal of Chemical Information and Modeling. 2023. Vol. 63. No. 5. pp. 1462-1471.

GOST all authors (up to 50) Copy

McNaughton A., Joshi R. P., Knutson C. R., Fnu A., Luebke K. J., Malerich J. P., Madrid P. B., Kumar N. Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties // Journal of Chemical Information and Modeling. 2023. Vol. 63. No. 5. pp. 1462-1471.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/acs.jcim.2c01662

UR - https://doi.org/10.1021/acs.jcim.2c01662

TI - Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties

T2 - Journal of Chemical Information and Modeling

AU - McNaughton, A.

AU - Joshi, Rajendra P.

AU - Knutson, Carter R.

AU - Fnu, Anubhav

AU - Luebke, Kevin J.

AU - Malerich, Jeremiah P.

AU - Madrid, Peter B.

AU - Kumar, Neeraj

PY - 2023

DA - 2023/02/27

PB - American Chemical Society (ACS)

SP - 1462-1471

IS - 5

VL - 63

SN - 1549-9596

SN - 1549-960X

ER -

BibTex |

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BibTex (up to 50 authors) Copy

@article{2023_McNaughton,

author = {A. McNaughton and Rajendra P. Joshi and Carter R. Knutson and Anubhav Fnu and Kevin J. Luebke and Jeremiah P. Malerich and Peter B. Madrid and Neeraj Kumar},

title = {Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties},

journal = {Journal of Chemical Information and Modeling},

year = {2023},

volume = {63},

publisher = {American Chemical Society (ACS)},

month = {feb},

url = {https://doi.org/10.1021/acs.jcim.2c01662},

number = {5},

pages = {1462--1471},

doi = {10.1021/acs.jcim.2c01662}

}

MLA

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MLA Copy

McNaughton, A., et al. “Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties.” Journal of Chemical Information and Modeling, vol. 63, no. 5, Feb. 2023, pp. 1462-1471. https://doi.org/10.1021/acs.jcim.2c01662.

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Publisher

American Chemical Society (ACS)

Journal

Journal of Chemical Information and Modeling

scimago Q1

SJR

1.396

CiteScore

9.8

Impact factor

5.6

ISSN

15499596 (Print)

1549960X (Electronic)