Assigning confidence to molecular property prediction

AkshatKumar Nigam; Robert Pollice; Matthew F. D. Hurley; Riley J. Hickman; Matteo Aldeghi; Naruki Yoshikawa; Seyone Chithrananda; Vincent A. Voelz; Alán Aspuru-Guzik

doi:10.1080/17460441.2021.1925247

Assigning confidence to molecular property prediction

AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley, Riley J. Hickman, Matteo Aldeghi, Naruki Yoshikawa, Seyone Chithrananda, Vincent A. Voelz, Alán Aspuru-Guzik

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

42 Citations (Scopus)

Original language	English
Pages (from-to)	1009-1023
Number of pages	15
Journal	Expert Opinion on Drug Discovery
Volume	16
Issue number	9
DOIs	https://doi.org/10.1080/17460441.2021.1925247
Publication status	Published - Jun-2021
Externally published	Yes

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Cite this

@article{99779613f5fb4bf18563bd5ab1a5f10e,

title = "Assigning confidence to molecular property prediction",

author = "AkshatKumar Nigam and Robert Pollice and Hurley, {Matthew F. D.} and Hickman, {Riley J.} and Matteo Aldeghi and Naruki Yoshikawa and Seyone Chithrananda and Voelz, {Vincent A.} and Al{\'a}n Aspuru-Guzik",

year = "2021",

month = jun,

doi = "10.1080/17460441.2021.1925247",

language = "English",

volume = "16",

pages = "1009--1023",

journal = "Expert Opinion on Drug Discovery",

issn = "1746-0441",

publisher = "Taylor & Francis Group",

number = "9",

}

TY - JOUR

T1 - Assigning confidence to molecular property prediction

AU - Nigam, AkshatKumar

AU - Pollice, Robert

AU - Hurley, Matthew F. D.

AU - Hickman, Riley J.

AU - Aldeghi, Matteo

AU - Yoshikawa, Naruki

AU - Chithrananda, Seyone

AU - Voelz, Vincent A.

AU - Aspuru-Guzik, Alán

PY - 2021/6

Y1 - 2021/6

U2 - 10.1080/17460441.2021.1925247

DO - 10.1080/17460441.2021.1925247

M3 - Article

SN - 1746-0441

VL - 16

SP - 1009

EP - 1023

JO - Expert Opinion on Drug Discovery

JF - Expert Opinion on Drug Discovery

IS - 9

ER -