:

Anastasia Rudik1, Leonid Stolbov1, Alexey Lagunin1,2

  • 1Department of Bioinformatics, Institute of Biomedical Chemistry, Moscow, Russia.

Molecular informatics
|February 4, 2026
PubMed
概括

预测药物的代谢稳定性对于评估治疗价值和毒性至关重要. 新的计算模型和MetaStab-Analyzer工具为小鼠,老鼠和人类的药物化合物提供了准确的预测.

相关概念视频

Regression Toward the Mean01:52

Regression Toward the Mean

Regression toward the mean (“RTM”) is a phenomenon in which extremely high or low values—for example, and individual’s blood pressure at a particular moment—appear closer to a group’s average upon remeasuring. Although this statistical peculiarity is the result of random error and chance, it has been problematic across various medical, scientific, financial and psychological applications. In particular, RTM, if not taken into account, can interfere when...
7.1K
Multiple Regression01:25

Multiple Regression

Multiple regression assesses a linear relationship between one response or dependent variable and two or more independent variables. It has many practical applications.
Farmers can use multiple regression to determine the crop yield based on more than one factor, such as water availability, fertilizer, soil properties, etc. Here, the crop yield is the response or dependent variable as it depends on the other independent variables. The analysis requires the construction of a scatter plot...
4.0K
Correlation and Regression00:53

Correlation and Regression

In statistics, correlation describes the degree of association between two variables. In the subfield of linear regression, correlation is mathematically expressed by the correlation coefficient, which describes the strength and direction of the relationship between two variables. The coefficient is symbolically represented by 'r' and ranges from -1 to +1. A positive value indicates a positive correlation where the two variables move in the same direction. A negative value suggests a...
3.5K
Regression Analysis01:11

Regression Analysis

Regression analysis is a statistical tool that describes a mathematical relationship between a dependent variable and one or more independent variables.
In regression analysis, a regression equation is determined based on the line of best fit– a line that best fits the data points plotted in a graph. This line is also called the regression line. The algebraic equation for the regression line is called the regression equation. It is represented as:
8.4K
What is Metabolism?00:52

What is Metabolism?

Overview
131.9K
Microsoft Excel: Regression Analysis01:18

Microsoft Excel: Regression Analysis

Regression analysis in Microsoft Excel is a powerful statistical method for examining the relationship between a dependent variable and one or more independent variables. It's used extensively in fields such as economics, biology, and business to predict outcomes, understand relationships, and make data-driven decisions. The most common type is linear regression, which attempts to fit a straight line through the data points to model the relationship between variables.
To perform regression...
1.6K