Nathaniel Stanley

dblp:391/7588 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%
Databases, data mining, and information retrieval
1 paper
Information retrieval · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology
drug discovery
0.912025
KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors · ICML 2025
Bioinformatics and computational biology › drug discovery
virtual screening
0.912025
KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors · ICML 2025
Information retrieval › evaluation
benchmark dataset
0.912025
KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors · ICML 2025

Methods — techniques the papers use, named apart from their topics

probabilistic modeling · 1.7molecular docking · 1.72d and 3d structure representation · 1.7
YearPublicationVenuePosition
2025 KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors
abstract
DNA-Encoded Libraries (DELs) represent a transformative technology in drug discovery, facilitating the high-throughput exploration of vast chemical spaces. Despite their potential, the scarcity of publicly available DEL datasets presents a bottleneck for the advancement of machine learning methodologies in this domain. To address this gap, we introduce KinDEL, one of the largest publicly accessible DEL datasets and the first one that includes binding poses from molecular docking experiments. Focused on two kinases, Mitogen-Activated Protein Kinase 14 (MAPK14) and Discoidin Domain Receptor Tyrosine Kinase 1 (DDR1), KinDEL includes 81 million compounds, offering a rich resource for computational exploration. Additionally, we provide comprehensive biophysical assay validation data, encompassing both on-DNA and off-DNA measurements, which we use to evaluate a suite of machine learning techniques, including novel structure-based probabilistic models. We hope that our benchmark, encompassing both 2D and 3D structures, will help advance the development of machine learning models for data-driven hit identification using DELs.
Benson Chen, Tomasz Danel, Gabriel H. S. Dreiman, Patrick J. McEnaney, Kirill Novikov, Spurti Umesh Akki, Joshua L. Turnbull, Virja Atul Pandya, Boris P. Belotserkovskii, Jared Bryce Weaver, Ankita Biswas, Kent Gorday, Mohammad Sultan, Nathaniel Stanley, Daniel M. Whalen, Divya Kanichar, Christoph Klein 0006, Emily Fox, R. Edward Watts
ICML16