Artificial intelligence alphafold model for molecular biology and drug discovery: a machine-learning-driven informatics investigation.

Artificial intelligence alphafold model for molecular biology and drug discovery: a machine-learning-driven informatics investigation.

Publication date: Oct 05, 2024

AlphaFold model has reshaped biological research. However, vast unstructured data in the entire AlphaFold field requires further analysis to fully understand the current research landscape and guide future exploration. Thus, this scientometric analysis aimed to identify critical research clusters, track emerging trends, and highlight underexplored areas in this field by utilizing machine-learning-driven informatics methods. Quantitative statistical analysis reveals that the AlphaFold field is enjoying an astonishing development trend (Annual Growth Rate = 180. 13%) and global collaboration (International Co-authorship = 33. 33%). Unsupervised clustering algorithm, time series tracking, and global impact assessment point out that Cluster 3 (Artificial Intelligence-Powered Advancements in AlphaFold for Structural Biology) has the greatest influence (Average Citation = 48. 36 +/- 184. 98). Additionally, regression curve and hotspot burst analysis highlight “structure prediction” (s = 12. 40, R = 0. 9480, p = 0. 0051), “artificial intelligence” (s = 5. 00, R = 0. 8096, p = 0. 0375), “drug discovery” (s = 1. 90, R = 0. 7987, p = 0. 0409), and “molecular dynamics” (s = 2. 40, R = 0. 8000, p = 0. 0405) as core hotspots driving the research frontier. More importantly, the Walktrap algorithm further reveals that “structure prediction, artificial intelligence, molecular dynamics” (Relevance Percentage[RP] = 100%, Development Percentage[DP] = 25. 0%), “sars-cov-2, covid-19, vaccine design” (RP = 97. 8%, DP = 37. 5%), and “homology modeling, virtual screening, membrane protein” (RP = 89. 9%, DP = 26. 1%) are closely intertwined with the AlphaFold model but remain underexplored, which implies a broad exploration space. In conclusion, through the machine-learning-driven informatics methods, this scientometric analysis offers an objective and comprehensive overview of global AlphaFold research, identifying critical research clusters and hotspots while prospectively pointing out underexplored critical areas.

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Concepts Keywords
Biology Algorithms
Drug AlphaFold
Future Artificial Intelligence
Informatics Artificial intelligence
Bibliometrics
Computational Biology
COVID-19
Drug Discovery
Drug discovery
Humans
Machine Learning
Molecular Biology
Molecular dynamics
SARS-CoV-2
Structure prediction

Semantics

Type Source Name
disease IDO algorithm
disease MESH covid-19
pathway REACTOME Reproduction
drug DRUGBANK Guanosine
drug DRUGBANK Trestolone
disease IDO quality
disease IDO process
drug DRUGBANK Fenamole
disease IDO object
drug DRUGBANK Indoleacetic acid
drug DRUGBANK Coenzyme M
disease IDO protein
pathway REACTOME Metabolism
disease MESH Cancer
drug DRUGBANK Carboxyamidotriazole
disease MESH oxidative stress
disease IDO immune response
disease MESH lymphoma

Original Article

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