ArticleChemical science2020
Neural network activation similarity: a new measure to assist decision making in chemical toxicology.
Article in Chemical science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 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
7 citing papers in PubMed.
- Patent value prediction in biomedical textiles: A method based on a fusion of machine learning models.PloS one · 2025Article
- FP-MAP: an extensive library of fingerprint-based molecular activity prediction tools.Frontiers in chemistry · 2023Article
- Review
- Increasing the Value of Data Within a Large Pharmaceutical Company Through In Silico Models.Methods in molecular biology (Clifton, N.J.) · 2022Article
- Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.Methods in molecular biology (Clifton, N.J.) · 2022Review
- Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias.Nature communications · 2021Article
- Natural product scores and fingerprints extracted from artificial neural networks.Computational and structural biotechnology journal · 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
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Deep learning neural networks, constructed for the prediction of chemical binding at 79 pharmacologically important human biological targets, show extremely high performance on test data (accuracy 92.2 ± 4.2%, MCC 0.814 ± 0.093 and ROC-AUC 0.96 ± 0.04). A new molecular similarity measure, Neural Network Activation Similarity, has been developed, based on signal propagation through the network. This is complementary to standard Tanimoto similarity, and the combined use increases confidence in the computer's prediction of activity for new chemicals by providing a greater understanding of the underlying justification. The
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.