相关实验视频

Updated: Feb 8, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.8K

使用图形神经网络进行基于结构的QT延长风险预测:结合体内hERG试验和药监数据的综合方法

Tomoyuki Enokiya1,2, Ryosuke Kunitomo1, Takamasa Yamaguchi2

  • 1Laboratory of Pharmacoinformatics, Department of Pharmaceutical Sciences, Faculty of Pharmaceutical Sciences, Suzuka University of Medical Science, Suzuka, Japan.

Clinical pharmacology and therapeutics
|February 7, 2026
PubMed
概括

我们开发了一个图形神经网络 (GNN),通过整合分子结构,体外数据和安全信号来预测药物诱导的QT间隔延长风险. 这种可解释的模型增强了药物安全性评估.

更多相关视频

A Neural Network-Based Identification of Developmentally Competent or Incompetent Mouse Fully-Grown Oocytes10:04

A Neural Network-Based Identification of Developmentally Competent or Incompetent Mouse Fully-Grown Oocytes

Published on: March 3, 2018

7.1K
Deep Neural Networks for Image-Based Dietary Assessment13:19

Deep Neural Networks for Image-Based Dietary Assessment

Published on: March 13, 2021

10.0K

相关概念视频

Pharmacovigilance01:19

Pharmacovigilance

Post-marketing surveillance is a critical component of pharmaceutical regulation, often uncovering unanticipated adverse drug reactions (ADRs) once a drug is widely used over an extended period.
This process, termed pharmacovigilance, aims to detect, evaluate, and minimize harmful effects related to medication use. The data collection for pharmacovigilance depends on spontaneous reporting systems, where healthcare professionals or patients voluntarily report suspected ADRs.
In some cases, there...
1.8K
Protein Networks02:26

Protein Networks

An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.6K
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries
46.0K
Model Approaches for Pharmacokinetic Data: Compartment Models01:14

Model Approaches for Pharmacokinetic Data: Compartment Models

Compartmental analysis is a widely adopted approach to characterizing drug pharmacokinetics. It uses compartment models that conceptualize the body as a collection of reversibly communicating compartments, each representing a group of tissues exhibiting similar drug distribution characteristics. The movement rate of the drug between these compartments is typically described by first-order kinetics.
Two primary types of compartment models are recognized: mammillary and catenary. The more...
570
Model Approaches for Pharmacokinetic Data: Physiological Models01:15

Model Approaches for Pharmacokinetic Data: Physiological Models

Physiological models in pharmacokinetics are instrumental in understanding the distribution and elimination of drugs within the body. These models describe the drug concentration within target organs, influenced by factors such as drug uptake, tissue volume, and blood flow. Drug uptake is governed by the partition coefficient, which signifies the drug concentration ratio in tissue to that in the blood. The blood flow rate to a specific tissue is expressed as Qt, and the rate of change in tissue...
279
Ogive Graph01:07

Ogive Graph

An ogive graph is sometimes called a cumulative frequency polygon. It is one type of frequency polygon that shows cumulative frequency. In other words, the cumulative percentages are added to the graph from left to right. An ogive graph plots cumulative frequency on the vertical y-axis and class boundaries along the horizontal x-axis. It’s very similar to a histogram; only instead of rectangles, an ogive displays a single point where the top right of the rectangle would be. Creating this...
6.8K