Do machines dream of atoms? Crippen's logP as a quantitative molecular benchmark for explainable AI heatmaps

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@article{ab2131b3ae25451da8785a0c3e42d6b2,

title = "Do machines dream of atoms? Crippen's logP as a quantitative molecular benchmark for explainable AI heatmaps",

author = "Rasmussen, {Maria H.} and Christensen, {Diana S.} and Jensen, {Jan H.}",

year = "2023",

doi = "10.21468/SciPostChem.2.1.002",

language = "English",

volume = "2",

journal = "SciPost Chemistry",

issn = "2772-6762",

number = "1",

}

TY - JOUR

T1 - Do machines dream of atoms? Crippen's logP as a quantitative molecular benchmark for explainable AI heatmaps

AU - Rasmussen, Maria H.

AU - Christensen, Diana S.

AU - Jensen, Jan H.

PY - 2023

Y1 - 2023

U2 - 10.21468/SciPostChem.2.1.002

DO - 10.21468/SciPostChem.2.1.002

M3 - Journal article

SN - 2772-6762

VL - 2

JO - SciPost Chemistry

JF - SciPost Chemistry

IS - 1

ER -