Toolkits and Components

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Toolkits and Components

Biomolecule Toolkit

Back-end for connecting biology and chemistry

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Calculators and Predictors

Physico-chemical calculations & predictions (pKa, logP, NMR etc.)

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Document to Structure

Extracting chemical information from documents

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JChem Base

Making object-relational database management systems chemically aware

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JChem Choral

Making object-relational database management systems chemically aware

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JChem Microservices

Making object-relational database management systems chemically aware

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JChem Oracle Cartridge

Making object-relational database management systems chemically aware

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JChem PostgreSQL Cartridge

Making object-relational database management systems chemically aware

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JChem Web Services

Making object-relational database management systems chemically aware

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JKlustor

Clustering and diversity analysis for chemical libraries

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Markush Tools

Analyze virtual combinatorial libraries & patent Markush structures

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Marvin JS

Designing molecules on the web

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Name to Structure

Converting various chemical names to structures on Asian languages too

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Reactor

A high performance virtual synthesis engine

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Screen Suite

Toolkit for 2D and 3D molecular screening

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Standardizer

Canonicalizing chemical structures

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Structure Checker

Correcting errors in chemical structures

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Structure to Name

IUPAC and common names

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