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HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
Kirill Veselkov1, Guadalupe Gonzalez2,3, Shahad Aljifri2
1Department of Surgery and Cancer, Faculty of Medicine, Imperial College London, London, SW7 2AZ, UK. kirill.veselkov04@imperial.ac.uk.
Abstract:
Recent data indicate that up-to 30-40% of cancers can be prevented by dietary and lifestyle measures alone. Herein, we introduce a unique network-based machine learning platform to identify putative food-based cancer-beating molecules. These have been identified through their molecular biological network commonality with clinically approved anti-cancer therapies. A machine-learning algorithm of random walks on graphs (operating within the supercomputing DreamLab platform) was used to simulate drug actions on human interactome networks to obtain genome-wide activity profiles of 1962 approved drugs (199 of which were classified as "anti-cancer" with their primary indications). A supervised approach was employed to predict cancer-beating molecules using these 'learned' interactome activity profiles. The validated model performance predicted anti-cancer therapeutics with classification accuracy of 84-90%. A comprehensive database of 7962 bioactive molecules within foods was fed into the model, which predicted 110 cancer-beating molecules (defined by anti-cancer drug likeness threshold of >70%) with expected capacity comparable to clinically approved anti-cancer drugs from a variety of chemical classes including flavonoids, terpenoids, and polyphenols. This in turn was used to construct a 'food map' with anti-cancer potential of each ingredient defined by the number of cancer-beating molecules found therein. Our analysis underpins the design of next-generation cancer preventative and therapeutic nutrition strategies.
Insights
Diet and lifestyle choices can prevent many cancers. This study used machine learning to find food molecules that fight cancer by mimicking anti-cancer drugs, revealing 110 potential cancer-fighting compounds.
Area of Science:
- Computational biology
- Nutritional science
- Oncology
Background:
- Up to 40% of cancers are preventable through diet and lifestyle.
- Identifying specific food components with anti-cancer properties is crucial for preventative strategies.
Purpose of the Study:
- To develop a network-based machine learning platform to identify food-derived molecules with anti-cancer potential.
- To predict cancer-beating molecules by analyzing their network commonality with approved anti-cancer drugs.
Main Methods:
- Utilized a machine learning algorithm (random walks on graphs) on human interactome networks.
- Simulated drug actions to generate genome-wide activity profiles for 1962 approved drugs.
- Employed a supervised approach to predict food molecules with anti-cancer drug-likeness (>70% threshold).
Main Results:
- The model accurately predicted anti-cancer therapeutics with 84-90% classification accuracy.
- Identified 110 bioactive food molecules with anti-cancer potential comparable to approved drugs.
- These molecules include flavonoids, terpenoids, and polyphenols.
Conclusions:
- The study identified novel food-based cancer-beating molecules using a machine learning approach.
- Developed a 'food map' to visualize the anti-cancer potential of food ingredients.
- This research supports the development of next-generation cancer prevention and treatment nutrition strategies.
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