The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

B Zdrazil, E Felix, F Hunter, EJ Manners… - Nucleic acids …, 2024 - academic.oup.com
Abstract ChEMBL (https://www. ebi. ac. uk/chembl/) is a manually curated, high-quality, large-
scale, open, FAIR and Global Core Biodata Resource of bioactive molecules with drug-like …

PatCID: an open-access dataset of chemical structures in patent documents

L Morin, V Weber, GI Meijer, F Yu, PWJ Staar - Nature Communications, 2024 - nature.com
The automatic analysis of patent publications has potential to accelerate research across
various domains, including drug discovery and material science. Within patent documents …

[HTML][HTML] Overview of the knowledge management center for illuminating the druggable genome

TI Oprea, C Bologa, J Holmes, S Mathias… - Drug Discovery …, 2024 - Elsevier
The Knowledge Management Center (KMC) for the Illuminating the Druggable Genome
(IDG) project aims to aggregate, update, and articulate protein-centric data knowledge for …

Mining patents with large language models demonstrates congruence of functional labels and chemical structures

CW Kosonocky, CO Wilke, EM Marcotte… - arXiv preprint arXiv …, 2023 - arxiv.org
Predicting chemical function from structure is a major goal of the chemical sciences, from the
discovery and repurposing of novel drugs to the creation of new materials. Recently, new …

Mining patents with large language models elucidates the chemical function landscape

CW Kosonocky, CO Wilke, EM Marcotte… - Digital Discovery, 2024 - pubs.rsc.org
The fundamental goal of small molecule discovery is to generate chemicals with target
functionality. While this often proceeds through structure-based methods, we set out to …

Mining Patents with Large Language Models Elucidates the Chemical Function Landscape

CW Kosonocky, CO Wilke, EM Marcotte… - arXiv preprint arXiv …, 2023 - europepmc.org
The fundamental goal of small molecule discovery is to generate chemicals with target
functionality. While this often proceeds through structure-based methods, we set out to …

EMBL's European Bioinformatics Institute (EMBL-EBI) in 2024

M Thakur, C Brooksbank, RD Finn, HV Firth… - Nucleic Acids …, 2025 - academic.oup.com
Abstract The European Molecular Biology Laboratory's European Bioinformatics Institute
(EMBL-EBI) is one of the world's leading sources of public biomolecular data. Based at the …

[PDF][PDF] MASTERARBEIT/MASTER'S THESIS

S Beck - 2017 - phaidra.univie.ac.at
The Corona pandemic and the accompanying acceleration of digitization in the
Germanspeaking world have shown that the conventional working models in many editorial …