ArticleJournal of chemical information and modeling2015
ZINC 15--Ligand Discovery for Everyone.
Article in Journal of chemical information and modeling, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1,311 papers.
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Who cites it
1,311 citing papers in PubMed.
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- An extension of jamdock-suite for virtual screening from raw chemical datasets.STAR protocols · 2026Article
- PACL: property-aware contrastive learning with adaptive substructures for molecular property prediction.Journal of computer-aided molecular design · 2026Article
- Similarity-Enhanced Representation Learning of Non-Canonical Amino Acids for Therapeutic Peptide Modeling.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- AI-driven computational drug design: tools, workflow and challenges.RSC advances · 2026Review
- Virtual Screening-Guided Identification of Candidate USP7-Inhibitory Scaffolds Exhibiting Antiproliferative Activity.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Metabolic Engineering of Komagataella Phaffii for de Novo Synthesis of Retinol From Methanol.Biotechnology journal · 2026Article
- Identification of Repurposed Drugs Against Monkeypox Virus Through Comprehensive Virtual Screening.Biotechnology journal · 2026Article
- In silico discovery of CETP inhibitors from ZINC15 compounds using docking, ADMET filtering, and molecular dynamics simulations.Research in pharmaceutical sciences · 2026Article
- Validated virtual screening models for identifying allosteric inhibitors of ATP-citrate lyase: the role of docking scores and protein-ligand interaction similarity in hit selection.Molecular diversity · 2026Article
- Complete Computational Exploration of Eight-Carbon Hydrocarbon Chemical Space.The Journal of organic chemistry · 2026Article
- Structural insights enable drug discovery for the neuronal NBCn2 carbonate transporter.Nature communications · 2026Article
- Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity.Nature communications · 2026Article
- Article
1,251 more citing papers are in PubMed but not listed here.
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Authors and funding
2 authors.
Funding
Abstract
Many questions about the biological activity and availability of small molecules remain inaccessible to investigators who could most benefit from their answers. To narrow the gap between chemoinformatics and biology, we have developed a suite of ligand annotation, purchasability, target, and biology association tools, incorporated into ZINC and meant for investigators who are not computer specialists. The new version contains over 120 million purchasable "drug-like" compounds--effectively all organic molecules that are for sale--a quarter of which are available for immediate delivery. ZINC connects purchasable compounds to high-value ones such as metabolites, drugs, natural products, and annotated compounds from the literature. Compounds may be accessed by the genes for which they are annotated as well as the major and minor target classes to which those genes belong. It offers new analysis tools that are easy for nonspecialists yet with few limitations for experts. ZINC retains its original 3D roots--all molecules are available in biologically relevant, ready-to-dock formats. ZINC is freely available at http://zinc15.docking.org.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.