Method for predicting medicament molecule pharmacokinetic property and toxicity based on supporting vector machine
A technology of pharmacokinetics and drug molecules, applied in gene models, special data processing applications, instruments, etc. Problems such as kinetics and toxicity prediction, unreasonable setting of SVM parameters, etc., achieve the effects of high practical value and promotion significance, shortened prediction time, and outstanding effect
- Summary
- Abstract
- Description
- Claims
- Application Information
AI Technical Summary
Problems solved by technology
Method used
Image
Examples
Embodiment Construction
[0035] See attached image 3 .
[0036] image 3 The specific process of realizing pharmacokinetic properties and toxicity prediction by using the method of the present invention is given.
[0037]First, in the drug molecule training set, known pharmacokinetic and toxicity-related physicochemical properties, absorption, distribution, metabolism, excretion, and toxicity data of organic compounds are collected. This example collects typical data, including: (1) antifungal activity; (2) blood-brain barrier penetration; (3) human oral bioavailability; (4) compound permeability in caco-2 cells; (5) Carcinogenicity; (6) clearance rate; (7) genotoxicity; (8) toxicity of human ether-a-go-go related genes; (9) human small intestinal absorption; (10) human immunodeficiency virus - half effective concentration; (11) half injury growth concentration); (12) half lethal concentration; (13) log value of partition coefficient; (14) log value of solubility; (15) mitochondrial toxicity; (16)...
PUM
Abstract
Description
Claims
Application Information
- R&D Engineer
- R&D Manager
- IP Professional
- Industry Leading Data Capabilities
- Powerful AI technology
- Patent DNA Extraction
Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.
© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com