ArticleFrontiers in chemistry2022
Improving Small Molecule pK
Article in Frontiers in chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 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
16 citing papers in PubMed.
- Can Graph Neural Networks Understand Chemical Elements?Journal of chemical information and modeling · 2026Article
- EasyDock 1.3: An Automated Pipeline for Molecular Docking.Journal of chemical information and modeling · 2026Article
- Unifying pJournal of chemical information and modeling · 2026Article
- Oral bioavailability property prediction based on task similarity transfer learning.Molecular diversity · 2026Article
- Machine Learning-Driven QSAR Modeling for pKInternational journal of molecular sciences · 2026Article
- Benchmarking pJournal of chemical information and modeling · 2026Article
- Digitized dataset of aqueous acid dissociation constants.RSC advances · 2026Article
- Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning.Communications chemistry · 2026Article
- pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches.Journal of computer-aided molecular design · 2025Review
- pEnvironmental science & technology · 2025Article
- Accurate Predictions of Molecular Properties of Proteins via Graph Neural Networks and Transfer Learning.Journal of chemical theory and computation · 2025Article
- Interpretable Deep-Learning pJournal of chemical information and modeling · 2025Article
- Article
- QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-pJournal of chemical theory and computation · 2024Article
- ChemoDOTS: a web server to design chemistry-driven focused libraries.Nucleic acids research · 2024Article
- Open-Source Machine Learning in Computational Chemistry.Journal of chemical information and modeling · 2023Review
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
Enumerating protonation states and calculating microstate pK
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.