ReviewMolecular informatics2022
Chemical Multiverse: An Expanded View of Chemical Space.
Review in Molecular informatics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 40 papers.
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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.
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Who cites it
40 citing papers in PubMed.
- Undersampling Techniques for Nonlinear Chemical Space Visualization.Molecular informatics · 2026Article
- Count your bits: fingerprint benchmarking to assess broad chemical space representation.Journal of cheminformatics · 2026Article
- Multifunctional Curcumin-Inspired 3,5-Diarylidene-4-Piperidones: Design, Synthesis, Biological Evaluation and Computational Mechanistic Studies.Pharmaceuticals (Basel, Switzerland) · 2026Article
- CRUSH-Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm.Journal of cheminformatics · 2026Article
- Structural diversity and chemical space analysis of a PROTAC database using unsupervised machine learning.Scientific reports · 2026Article
- Analyzing the Chemical Space of Opioid Receptor Agonists and Antagonists: Insights from Computational Models.ACS omega · 2026Article
- 1,5-Disubstituted Tetrazoles as Promising Anticancer Resistance Agents: A Chemoinformatic Characterization.ACS omega · 2026Article
- The (r)evolution of chemical space and molecular modeling: a time-resolved perspective.Journal of computer-aided molecular design · 2026Review
- Scaffold-based evaluation metrics for fair comparison of molecular generators.Journal of cheminformatics · 2026Article
- Constellation Plots in KNIME: An Automated Scaffold-Based Workflow for Interactive Chemical Space Visualization.Molecular informatics · 2026Article
- Exploring and expanding the chemical multiverse of peptides.Chemical science · 2026Review
- Universal feature selection for simultaneous interpretability of multitask datasets.Journal of cheminformatics · 2026Article
- On the pursuit of the true impact of our actions in science.Frontiers in research metrics and analytics · 2026Article
- Representative Random Sampling of Chemical Space.Journal of chemical theory and computation · 2025Article
- DiaNat-DB-v2: A Molecular Database of Antidiabetic Compounds from Medicinal Plants and Functional Foods.ACS omega · 2025Article
- Growth vs Diversity: A Time-Evolution Analysis of the Chemical Space.Journal of chemical information and modeling · 2025Article
- Spherical GTM: A New Proposition for Visualization of Chemical Data.Molecular informatics · 2025Article
- Fragment Libraries from Large and Novel Synthetic Compounds and Natural Products: A Comparative Chemoinformatic Analysis.ACS omega · 2025Article
- MAYA (Multiple ActivitY Analyzer): An Open Access Tool to Explore Structure-Multiple Activity Relationships in the Chemical Universe.Molecular informatics · 2025Article
- Chemical space as a unifying theme for chemistry.Journal of cheminformatics · 2025Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Technological advances and practical applications of the chemical space concept in drug discovery, natural product research, and other research areas have attracted the scientific community's attention. The large- and ultra-large chemical spaces are associated with the significant increase in the number of compounds that can potentially be made and exist and the increasing number of experimental and calculated descriptors, that are emerging that encode the molecular structure and/or property aspects of the molecules. Due to the importance and continued evolution of compound libraries, herein, we discuss definitions proposed in the literature for chemical space and emphasize the convenience, discussed in the literature to use complementary descriptors to obtain a comprehensive view of the chemical space of compound data sets. In this regard, we introduce the term chemical multiverse to refer to the comprehensive analysis of compound data sets through several chemical spaces, each defined by a different set of chemical representations. The chemical multiverse is contrasted with a related idea: consensus chemical space.
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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.