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Revision as of 21:09, 18 December 2006

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Welcome to webpage of Abhishek Tiwari

The current focus of my research is the application of computational methods and tools to solve biological problems of fundamental significance. More details can be found in Research section. Currently I am working as Research Associate with Informatics Group at GVK Biosciences. I am also a member of Prof Gautam R. Desiraju Research Group at School of Chemistry at University of Hyderabad.


Workflow technology, Cheminformatics ,Bioinformatics and Drug Discovery

Workflow technology is a mechanism to integrate data, application and services. Workflow technology enables scientist to dynamically construct their own research protocol for scientific analytics and decision making by connecting various resources and software applications together in an innovative way. Workflow technology is being increasingly applied in discovery informatics to organize and analyze data. SciTegic's Pipeline Pilot is a one of the chemically intelligent implementation of a workflow technology known as data pipelining. It allows scientists to construct and execute workflows using components that encapsulate many cheminformatics based algorithms. Workflow technology is generic so analytics work flow can be built for any areas like gene expression analysis, sequence analysis, proteomics, system biology and so on. Workflow technology provides an interface where software from different vendors can assemble according to scientific requirement. Read More

Chemical Informatics or Cheminformatics Toolkit Programming

"Any idiot can stand up and say that virtual screening doesn't work. It takes real brains to show how to improve it!" - Mark McGann

Currently a lot of toolkits (Daylight Toolkit, Chemaxon Toolkit, OpenEye Toolkit, MOE SVL, Accord, CDK, JOELib etc) are available from different vendors and organization. Most of them are equally good but choice may vary based on user prospective. I will try to give a summarized overview of some commonly used Chemical Informatics Toolkits. For academics user Chemaxon JChem (which is free for academic user) and Open Source Toolkits like CDK and JOELib will be a better choice. If your budget permits then you can use Daylight, Accord , OpenEye, MOE SVL or any other depending on your needs but Chemaxon and MOE are low budget high quality options. Read More

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