One of the key tasks of cheminformatics is representation of chemical compounds. In this thesis we develop a client server software that can generate large amount of such representations. The server allows adding plugins which exploit third party applications. These applications are launched via a command line interface, or calling methods of a web service. The client displays the possible representation types. The user will choose a set of representations and an input set of molecules and this query sends to the server. The server then calls plugins and return a result. Powered by TCPDF (www.tcpdf.org
When designing drugs and materials, researchers must examine how systems of molecules interact with ...
In computational chemistry vast quantities of compounds are generated, and there is a need for chemi...
Web services, as an aspect of cloud computing, are becoming an important part of the general IT infr...
In our thesis we are going to show the development of a software. This software is intended to all w...
Background: Cheminformaticians have to routinely process and analyse libraries of small molecules. A...
Internet technology offers an excellent opportunity for the development of tools by the cooperative ...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
ChemBioServer 2.0 is the advanced sequel of a web server for filtering, clustering and networking of...
We present the application of a Java remote method invocation (RMI) based open source architecture t...
Web services, as an aspect of cloud computing, are becoming an important part of the general IT infr...
Background: The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
Background: The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit...
<p>The ChemSpider compound database is a free online database provided to the community by the Royal...
Several recent ML algorithms for de novo molecule generation have been utilized to create an open-ac...
When designing drugs and materials, researchers must examine how systems of molecules interact with ...
In computational chemistry vast quantities of compounds are generated, and there is a need for chemi...
Web services, as an aspect of cloud computing, are becoming an important part of the general IT infr...
In our thesis we are going to show the development of a software. This software is intended to all w...
Background: Cheminformaticians have to routinely process and analyse libraries of small molecules. A...
Internet technology offers an excellent opportunity for the development of tools by the cooperative ...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
ChemBioServer 2.0 is the advanced sequel of a web server for filtering, clustering and networking of...
We present the application of a Java remote method invocation (RMI) based open source architecture t...
Web services, as an aspect of cloud computing, are becoming an important part of the general IT infr...
Background: The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit...
Motivation: The development of chemoinformatics has been hampered by the lack of large, publicly ava...
Background: The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit...
<p>The ChemSpider compound database is a free online database provided to the community by the Royal...
Several recent ML algorithms for de novo molecule generation have been utilized to create an open-ac...
When designing drugs and materials, researchers must examine how systems of molecules interact with ...
In computational chemistry vast quantities of compounds are generated, and there is a need for chemi...
Web services, as an aspect of cloud computing, are becoming an important part of the general IT infr...