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Updated: Jan 18, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
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Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

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向着可解释的致癌性预测:一种综合化学信息学方法和对可能致癌化学品的共识框架

Huynh Anh Duy1,2, Tarapong Srisongkram3

  • 1Graduate School in the Program of Research and Development in Pharmaceuticals, Faculty of Pharmaceutical Sciences, Khon Kaen University, Khon Kaen 40002, Thailand.

Journal of chemical information and modeling
|September 12, 2025
PubMed
概括

一个共识机器学习框架准确地预测化学致癌性 (IARC类2B). 该工具有助于识别潜在的致癌物质,改善化学品安全评估.

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Several factors can increase the risk of cancer in an individual. About 50% of cancer cases can be prevented by adopting a healthy lifestyle, regular exercise, eating healthy, and following a modest cancer prevention diet. Epidemiological studies have consistently shown that populations with vegetable and fruit-rich diets have reduced the incidence of cancer. On the other hand, populations who have a diet rich in animal fat, red meat, junk food, or high calories are predisposed to cancer.
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The Bradford Hill criteria serve as guidelines for establishing causative links in epidemiological research. Beyond Strength, Consistency, Specificity, and Temporality, key criteria also include Biological Gradient, Plausibility, Coherence, Experiment, and Analogy. These principles assist scientists in assessing the likelihood of causation in complex biological contexts. Below is a summary of these concepts:
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Humans continually engage with an environment rich in potentially harmful chemicals. These are introduced to our bodies through inhalation, ingestion, or skin contact. These chemicals exist in various forms, such as air and environmental pollutants, agricultural chemicals, organic solvents, and heavy metals.
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