ArticleACS omega2020
Finding a Maximum Common Subgraph from Molecular Structural Formulas through the Maximum Clique Approach Combined with the Ising Model.
Article in ACS omega, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 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
3 citing papers in PubMed.
- Enumeration Approach to Atom-to-Atom Mapping Accelerated by Ising Computing.Journal of chemical information and modeling · 2025Article
- The Role of Experimental Noise in a Hybrid Classical-Molecular Computer to Solve Combinatorial Optimization Problems.ACS central science · 2023Article
- Maximizing gerrymandering through ising model optimization.Scientific reports · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We examined the maximum common subgraph (MCS) of four neuraminidase inhibitors that were antiviral medication for treating and preventing type A and B influenza viruses. The MCS was obtained by finding a maximum clique of an association graph constructed from the two input chemical structural formulas. Maximum clique problem was reformulated to Ising Hamiltonian to allow for applying various techniques for optimization. We observed that the combined label for a vertex composed of elemental species and chemical bonds significantly worked well for decreasing the number of vertices in the association graph, which in turn helped to reduce the computational cost.
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.