基因目标预测环境化学物质使用合矩阵-矩阵完成
Kai Wang1, Nicole Kim1, Maryam Bagherian1,2
1Department of Computational Medicine and Bioinformatics, School of Medicine, University of Michigan, Ann Arbor, Michigan 48109, United States.
Environmental science & technology
|March 19, 2024
概括
一种新的计算方法,配对矩阵-矩阵完成 (CMMC),准确地预测化学分子目标. 这种方法有助于识别环境化学危害,并有效评估风险.
科学领域:
- 环境科学 环境科学
- 毒理学 毒理学 毒理学
- 计算生物学 计算生物学
背景情况:
- 人类接触有毒化学物质构成了重大的公共卫生挑战.
- 识别化学分子标对于理解毒性至关重要.
- 资源的局限性阻碍了全面的化学安全评估.
研究的目的:
- 开发和验证用于预测化学目标相互作用的计算方法.
- 利用现有的有关化学物质暴露和分子标的数据.
- 为了使化学品在危险识别和风险评估中得到有效的优先考虑.
主要方法:
- 实现一种新的矩阵完成算法:合矩阵-矩阵完成 (CMMC).
- 利用有关化学物质暴露和分子标的累积数据.
- 使用来自比较毒基因组学数据库的基准数据集进行验证.
主要成果:
- 在一个基准数据集上,CMMC方法实现了0.89的曲线下的面积 (AUC).
- 案例研究表明,对双甲类似物,PFAS,二氧化物,PCB和VOC的分子标的准确预测.
- 该方法成功地预测了新化学品的目标,而没有先前的生物活性知识.
结论:
- 偶联矩阵-矩阵完成 (CMMC) 是一个可行的和有前途的计算工具.
- CMMC可以准确地预测环境化学物质-目标相互作用.
- 这种预测能力可以显著提高化学危害识别和风险评估过程.
关键词:
BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA BPA这就是为什么PCB PCB.在PFAS中,有很多方法.这是一种VOC,可挥发性化合物.暴露于化学物质的情况.二氧化二氧化的使用情况机器学习是机器学习.完成矩阵的完成.目标预测目标预测更多相关视频
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
2.7K
09:04Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
Published on: April 18, 2019
12.4K
相关概念视频
Mechanistic Models: Compartment Models in Individual and Population Analysis
40
Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least...
40
Types of Toxins
1.7K
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.
Air pollutants, primarily gases, pose significant threats to respiratory health, leading to conditions like hypoxia, lung cancer, and in extreme cases, death.
Environmental pollutants like...
Air pollutants, primarily gases, pose significant threats to respiratory health, leading to conditions like hypoxia, lung cancer, and in extreme cases, death.
Environmental pollutants like...
1.7K
Gene-Environment Interactions
312
Gene expression is a dynamic process that is significantly influenced by environmental factors. This interaction underlies the complex nature of biological development and the phenotypic differences observed among individuals, even among those with identical genetic makeups. Factors such as radiation, temperature, behavior, nutrition, and stress play pivotal roles in determining how genes are expressed. The concept of the reaction range is central to understanding this interaction. It posits...
312
