ArticleJournal of cheminformatics2019
Capturing mixture composition: an open machine-readable format for representing mixed substances.
Article in Journal of cheminformatics, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 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
10 citing papers in PubMed.
- Mixture-Quantitative Structure-Property Relationship Approaches for Jet Fuel-Component Blends: A Review.Molecular informatics · 2026Review
- InChI isotopologue and isotopomer specifications.Journal of cheminformatics · 2024Article
- IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER).Chemistry Teacher International : best practices in chemistry education · 2024Article
- Principles and requirements for nanomaterial representations to facilitate machine processing and cooperation with nanoinformatics tools.Journal of cheminformatics · 2023Article
- The chemical landscape of high-throughput new approach methodologies for exposure.Journal of exposure science & environmental epidemiology · 2022Review
- Using Machine Learning to Parse Chemical Mixture Descriptions.ACS omega · 2021Article
- InChI version 1.06: now more than 99.99% reliable.Journal of cheminformatics · 2021Article
- ChemProps: A RESTful API enabled database for composite polymer name standardization.Journal of cheminformatics · 2021Article
- iCDI-W2vCom: Identifying the Ion Channel-Drug Interaction in Cellular Networking Based on word2vec and node2vec.Frontiers in genetics · 2021Article
- Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?Nanomaterials (Basel, Switzerland) · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
We describe a file format that is designed to represent mixtures of compounds in a way that is fully machine readable. This Mixfile format is intended to fill the same role for substances that are composed of multiple components as the venerable Molfile does for specifying individual structures. This much needed datastructure is intended to replace current practices for communicating information about mixtures, which usually relies on human-readable text descriptions, drawing several species within a single molecular diagram, or mutually incompatible ad hoc solutions. We describe an open source software application for editing mixture files, which can also be used as web-ready tools for manipulating the file format. We also present a corpus of mixture examples, which we have extracted from collections of text-based descriptions. Furthermore, we present an early look at the proposed IUPAC Mixtures InChI specification, instances of which can be automatically generated using the Mixfile format as a precursor.
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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.