ArticleJournal of chemical information and modeling2022
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.
Article in Journal of chemical information and modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 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
20 citing papers in PubMed.
- Cooperativity and communication between the active sites of the dimeric SARS-CoV-2 main protease.Science advances · 2026Article
- Machine Learning to Predict CDK4 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- CDK7 as a Target for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Virtual Docker for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Hands-On Docking with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Data Modeller for Machine Learning.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Extremely Randomized Trees to Determine Binding Affinity.Methods in molecular biology (Clifton, N.J.) · 2026Article
- AlphaFold for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Neural Networks with Molegro Data Modeller.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Targeting CDK9 with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Differential Evolution for Docking Simulations.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Data Modeller to Estimate CDK6 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Neural Networks to Calculate CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Tree-Based Methods to Predict Enzyme Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Predicting the Impact of Drug Resistance Mutations on Inhibitor Potency with Molecular Dynamics and Machine Learning.The journal of physical chemistry. B · 2025Article
- Predicting Inhibition of CDK2 with SAnDReS: The Application of Machine Learning to Navigate the Scoring Function Space.Current medicinal chemistry · 2025Review
- Integrating single-cell and multi-omic approaches reveals Euphorbiae Humifusae Herba-dependent mitochondrial dysfunction in non-small-cell lung cancer.Journal of cellular and molecular medicine · 2024Article
- Navigating the Expansive Landscapes of Soft Materials: A User Guide for High-Throughput Workflows.ACS polymers Au · 2023Review
- Scoring Functions for Protein-Ligand Binding Affinity Prediction using Structure-Based Deep Learning: A Review.Frontiers in bioinformatics · 2022Article
- Design of human immunodeficiency virus-1 neutralizing peptides targeting CD4-binding site: An integrative computational biologics approach.Frontiers in medicine · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Deep learning has been successfully applied to structure-based protein-ligand affinity prediction, yet the black box nature of these models raises some questions. In a previous study, we presented K
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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.