ArticleJournal of chemical information and modeling2023
ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery.
Article in Journal of chemical information and modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 146 papers, 1 of them a synthesis that pooled it.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
146 citing papers in PubMed, 1 synthesis or guideline pooled it, 234 citations in OpenAlex.
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- Docking-based virtual screening: Past, present, and future.Biophysical journal · 2026Review
- TRPM8 virtual screening: the essential role of target-specific, inactive-enriched machine-learning scoring functions.Digital discovery · 2026Article
- Docking-score landscapes shape active-learning performance across Vina, Glide, and SILCS.Journal of computer-aided molecular design · 2026Article
- Big Data and Artificial Intelligence in Cancer Drug Discovery: Promise, Challenges, and Emerging Opportunities.Cancers · 2026Review
- Targeting the 3C Protease of Hepatitis A Virus Subgenotype IB: Virtual Screening and Identification of Potent Lead Candidates.Microorganisms · 2026Article
- Machine learning-driven identification of PIM2 kinase inhibitors through QSAR modeling and molecular dynamics simulations.Journal, genetic engineering & biotechnology · 2026Article
- Chemical Distance-Based Acceleration of Large Library Docking with ChemSTEP.ACS central science · 2026Article
- New paradigm of q-CAR drug development targeting disease-specific protein conformations.npj drug discovery · 2026Review
- ERβ-Score: An Interpretable Machine Learning-Based Scoring Function and Web Server for Estrogen Receptor β-Guided Drug Discovery in Triple-Negative Breast Cancer.International journal of molecular sciences · 2026Article
- Discovery of putative G-protein-biased µ-opioid agonists via hierarchical virtual screening of ultra-large chemical space.Molecular diversity · 2026Article
- Predictive bioactivity modeling and structural binding analysis for the identification of potential SMYD3 modulators.Molecular diversity · 2026Article
- SmileyLlama: modifying large language models for directed chemical space exploration.Nature computational science · 2026Article
- Eco-Friendly Synthesis, Physicochemical Characterization, and In Vitro Biological Evaluation of Plant-Derived Bioactive-Loaded Chitosan Nanoparticles Supported by Molecular Modeling Studies.Molecules (Basel, Switzerland) · 2026Article
- QSAR in the Browser: An Interactive Cheminformatics Web Application.Journal of chemical information and modeling · 2026Article
- Circumventing the Synthesizability Problem in Generative Molecular Design.Journal of chemical information and modeling · 2026Article
- SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening.International journal of molecular sciences · 2026Article
- A High-Throughput Platform for Measuring and Predicting Vitrification Behavior in Multicomponent Aqueous Solutions.ACS applied materials & interfaces · 2026Article
86 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors at 2 institutions in 2 countries.
Funding
Abstract
Purchasable chemical space has grown rapidly into the tens of billions of molecules, providing unprecedented opportunities for ligand discovery but straining the tools that might exploit these molecules at scale. We have therefore developed ZINC-22, a database of commercially accessible small molecules derived from multi-billion-scale make-on-demand libraries. The new database and tools enable analog searching in this vast new space via a facile GUI, CartBlanche, drawing on similarity methods that scale sublinearly in the number of molecules. The new library also uses data organization methods, enabling rapid lookup of molecules and their physical properties, including conformations, partial atomic charges,
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What OpenQuestion holds
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.