ArticleMethods in molecular biology (Clifton, N.J.)2022
Deep Learning and Computational Chemistry.
Article in Methods in molecular biology (Clifton, N.J.), 2022. 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.
- Machine Learning Tool for New Selective Serotonin and Serotonin-Norepinephrine Reuptake Inhibitors.Molecules (Basel, Switzerland) · 2025Article
- Accelerating COVID-19 Drug Discovery with High-Performance Computing.Methods in molecular biology (Clifton, N.J.) · 2024Review
- Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis.Pharmaceuticals (Basel, Switzerland) · 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
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Within the context of the latest resurgence in the application of artificial intelligence approaches, deep learning has undergone a renaissance over recent years. These methods have been applied to a number of problems in computational chemistry. Compared to other machine learning approaches, the practical performance advantages of deep neural networks are often unclear. However, deep learning does appear to offer a number of other advantages such as the facile incorporation of multitask learning and the enhancement of generative modeling. The high complexity of contemporary network architectures represents a potentially significant barrier to their future adoption due to the costs of training such models and challenges in interpreting their predictions. When combined with the relative paucity of very large datasets, it is interesting to reflect on whether deep learning is likely to have the kind of transformational impact on computational chemistry that it is commonly held to have had in other domains such as image recognition.
Indexed as
Identifiers
34731467What 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.