ArticleJournal of computer-aided molecular design2018
Assessment of tautomer distribution using the condensed reaction graph approach.
Article in Journal of computer-aided molecular design, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 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
9 citing papers in PubMed.
- Graph-based transformer to predict the octanol-water partition coefficient.Journal of cheminformatics · 2026Article
- Predicting reaction conditions: a data-driven perspective.Chemical science · 2025Review
- Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR.Nature reviews. Drug discovery · 2024Review
- Toward in Silico Modeling of Dynamic Combinatorial Libraries.ACS central science · 2022Article
- Machine Learning of Reaction Properties via Learned Representations of the Condensed Graph of Reaction.Journal of chemical information and modeling · 2022Review
- Discovery of novel chemical reactions by deep generative recurrent neural network.Scientific reports · 2021Article
- Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions.International journal of molecular sciences · 2020Article
- QSAR without borders.Chemical Society reviews · 2020Review
- Tautomer Database: A Comprehensive Resource for Tautomerism Analyses.Journal of chemical information and modeling · 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
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We report the first direct QSPR modeling of equilibrium constants of tautomeric transformations (logK
Indexed as
Identifiers
29380104What 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.