[AI 독성예측] 독성예측 툴

EU - toxtree

Toxtree is a flexible and user-friendly open-source application that places chemicals into categories and predicts various kinds of toxic effects by applying decision tree approaches.

Toxtrees는 "의사결정 트리"를 이용하여 독성을 예측하는 user-friendly 오픈소스 어플리케이션.

The software is made freely available as a service to scientific researchers and anyone with an interest in the application of computer-based estimation methods in the assessment of chemical toxicity.

Toxtree has been designed with flexible capabilities for future extensions in mind (e.g. other classification schemes that could be developed at a future date). New decision trees with arbitrary rules can be built with the help of graphical user interface or by developing new plug-ins.

toxtree.sourceforge.net/

Toxtree – Toxtree - Toxic Hazard Estimation by decision tree approach

Web상에서도 Toxtree를 이용가능

http://toxtree.sf.net/predict

Toxtree for Web

Toxtree predict예시 : 100-00-5 [O-][N+](=O)C1=CC=C(Cl)C=C1

local pc에 설치 후 메뉴얼대로 사용하기.

Toxtree_BenigniBossaRulebase_manual.pdf

0.62MB

Toxtree_CramerExtensions_manual.pdf

0.33MB

Toxtree_installation_manual.pdf

0.24MB

Toxtree_START_manual.pdf

0.47MB

Toxtree_ToxMic_manual.pdf

1.69MB

Toxtree_user_manual.pdf

2.19MB

EPA - chemistry dashboard

ntp - ICE(Integrated Chemcial Environment)

ice.ntp.niehs.nih.gov/About

About ICE

• Chemical Search
• Mixtures Search
• IVIVE
• Chemical Characterization
• Interactive Graphs