ArticleJournal of medicinal chemistry2015
Parallel worlds of public and commercial bioactive chemistry data.
Article in Journal of medicinal chemistry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
15 citing papers in PubMed.
- Structure-Based Design and Evaluation of Coumarin-Derived CDK4 Inhibitors for Non-Small Cell Lung Cancer: An Integrated Computational Study.Applied biochemistry and biotechnology · 2026Article
- Applications of Bridgehead Heterocycles in Drug Design and Medicinal Chemistry.Topics in current chemistry (Cham) · 2025Review
- Phenotypic screening of low molecular weight compounds is rich ground for repurposed, on-target drugs.Frontiers in pharmacology · 2022Article
- On drug discovery against infectious diseases and academic medicinal chemistry contributions.Beilstein journal of organic chemistry · 2022Article
- DenovoProfiling: A webserver forComputational and structural biotechnology journal · 2022Article
- Will the chemical probes please stand up?RSC medicinal chemistry · 2021Article
- Substance-Based Bibliometrics: Identifying Research Gaps by Counting and Analyzing Substances.ACS omega · 2019Article
- Caveat Usor: Assessing Differences between Major Chemistry Databases.ChemMedChem · 2018Review
- Data Mining and Computational Modeling of High-Throughput Screening Datasets.Methods in molecular biology (Clifton, N.J.) · 2018Article
- VB-MK-LMF: fusion of drugs, targets and interactions using variational Bayesian multiple kernel logistic matrix factorization.BMC bioinformatics · 2017Article
- Probes &Drugs portal: an interactive, open data resource for chemical biology.Nature methods · 2017Article
- The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands.Nucleic acids research · 2016Article
- Tales from the war on error: the art and science of curating QSAR data.Journal of computer-aided molecular design · 2015Article
- Chemical databases: curation or integration by user-defined equivalence?Drug discovery today. Technologies · 2015Review
- Small molecules with antiviral activity against the Ebola virus.F1000Research · 2015Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The availability of structures and linked bioactivity data in databases is powerfully enabling for drug discovery and chemical biology. However, we now review some confounding issues with the divergent expansions of public and commercial sources of chemical structures. These are associated with not only expanding patent extraction but also increasingly large vendor collections amassed via different selection criteria between SciFinder from Chemical Abstracts Service (CAS) and major public sources such as PubChem, ChemSpider, UniChem, and others. These increasingly massive collections may include both real and virtual compounds, as well as so-called prophetic compounds from patents. We address a range of issues raised by the challenges faced resolving the NIH probe compounds. In addition we highlight the confounding of prior-art searching by virtual compounds that could impact the composition of matter patentability of a new medicinal chemistry lead. Finally, we propose some potential solutions.
Indexed as
Identifiers
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.