分子視算 堅持卓越
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ChemAxon

來自歐洲最完整的跨平台化學資訊、反應分析、與資料庫處理系統。代表產品:JChem, Marvin, JKluster, Reactor。


ChemAxon JChem Base
JChem Base is a tool for the development of cheminformatics applications allowing storage and search of structural and non-structural data.

JChem Base can handle molecule, reaction, combinatorial Markush and query structural contents. JChem Base will integrate with a variety of database systems (Oracle, MS SQL Server, DB2, Access, etc) with web interfaces and offers fast substructure, similarity, exact, superstructure and other searches.

Structures are stored in database tables, combining structural and non-structural data. SDF, SMILES, MOL, RDF, CML, and many other file formats are supported. JChem Base also supports ChemAxon's Chemical Terms language to enable complex chemical queries, expressions and rules.

The system includes Marvin, a suite of chemical editor, viewer and visualization tools and graphical user interfaces.

ChemAxon的JChem Base是一個可用來設計研發各種儲存與蒐尋各種結構性及非結構性資料的化學資訊應用軟體。它可以處理化學分子、反應、組合馬庫西型式(Markush)及搜尋結構等資料內容。JChem Base 可與許多不同的資料庫整合,包括Oracle, MS SQL, DB2, Access 等,且支援SDF, SMILES, MOL, RDF, CML 等各種化學格式。JChem Base也包含了Marvin. 它是一套化學結構二維及三維視覺化介面和分子結構繪圖的完整軟體。

☆ChemAxon JChem Cartridge
JChem Cartridge adds chemical intelligence to the Oracle platform. Data can be searched by structure, substructure and similarity criteria through extending Oracle's native SQL language. Chemical data can be easily inserted and modified using SQL. Most industry standard chemical formats (MOL/SDF/RDF - v2.0 and v3.0, SMILES, SMARTS, CML, etc) are natively handled using JChem indices. The Cartridge enables all chemical database management and search features of JChem Base from any SQL-capable platform.

In addition to chemical database management and search functions, JChem Cartridge also supports structure transformations with our Standardizer and Reactor toolkits and structure based predictions via ChemAxon's Chemical Terms language and Calculator Plugins, as well as providing chemical format conversions including image generation.

ChemAxon的JChem Cartridge在Oracle的平台上加入了化學的智慧。資料可依其結構、次結構、及相似條件等利用SQL語言來作搜尋。它支援所有標準化學分子格式,以及透過Standardizer和Reactor等模組所產生的變形結構。

☆ChemAxon Standardizer
Standardizer is a structure canonicalization tool in JChem for converting molecules from different sources into standard representational forms. Standardizer can automate the identification of mesomers and tautomers and can be used for counter-ion removal. 

ChemAxon 的Standardizer 是JChem架構下的一個分子標準化工具。它使得來自各種來源的資料得以自動轉型為標準正確的化學格式以儲存於資料庫中。

☆Screen
Screen is a comprehensive HTS suite in JChem, which works with files and structure databases and features various models for the similarity analysis of molecules and pharmacophore hypotheses. 

The pharmacophore mapping tool offers customizable pharmacophore models as well as an optimizer to find the "best" screening metrics and parameter sets. 

ChemAxon的Screen 是JChem下的一個完整的高速篩選套件。它可用在檔案及化學結構資料庫上,且具有許多模型可供分子相似度及藥效基團假說的分析。

All products from ChemAxon, Kft.

Accelrys - Symyx
ChemAxon
Eidogen
Elsevier
Ingenuity
Integromics
MacVector
Sophia Search
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