Software packages and web server for drug design at OSDDlinux

Software for Drug informatics

jQuery UI Tabs - Default functionality This page provides list of software packages at OSDDlinux important for computer-aided drug design. In OSDDlinux we have divided in categories i) All for all type ofsoftware, ii) Webservers for web services, iii) Galaxy for software integated in Galaxy, iv) GUI for graphics based software, v) Third for software not belongs to Raghava's group

Software name	Description
Kidoq	It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint	DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred	It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred	MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
Avogadro	Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.
Babel	Converts between different file formats for computational biology applications.
CDK	The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
Chemtool	Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Filter-IT	Filter-it calculates the chemical descriptors of chemical molecules
Freediams	It is mainly developed by medical doctors and is intended for use by these same professionals. It can be used alone to prescribe and / or test drug interactions within a prescription. It can be linked to any application thanks to its command line parameters.
Kalzium	Kalzium is your digital replacement for the periodic table on paper. It ss a program that visualizes the Periodic Table of Elements (PSE) and includes basic information about all common elements in the PSE. It has a gained much more functions over time.
Mpqc	MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation.
PaDEL:	PaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminer	RapidMiner is unquestionably the world-leading open-source system for data mining. It is available as a stand-alone application for data analysis and as a data mining engine for the integration into own products.
Weka	Collection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
Xdrawchem	XDrawChem is a two-dimensional molecule drawing program for Unix operating systems. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft).

Software name	Description
Kidoq	It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint	DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred	It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred	MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.

Name	Description
Kidoq	It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint	DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred	It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred	MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.

Name	Description
Kidoq	It is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMint	DrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPred	It is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPred	MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.

Software name	Description
Chemtool	Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Gabedit	Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
GChemPaint	GChemPaint allows you to draw and display 2D chemical structures.
Kalzium	Kalzium is your digital replacement for the periodic table on paper. It ss a program that visualizes the Periodic Table of Elements (PSE) and includes basic information about all common elements in the PSE. It has a gained much more functions over time.
PaDEL	PaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminer	RapidMiner is unquestionably the world-leading open-source system for data mining. It is available as a stand-alone application for data analysis and as a data mining engine for the integration into own products.
Weka	Collection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.

Software name	Description
Avogadro	Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.
Babel	Converts between different file formats for computational biology applications.
CDK	The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
Chemtool	Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Filter-IT	Filter-it calculates the chemical descriptors of chemical molecules
Freediams	It is mainly developed by medical doctors and is intended for use by these same professionals. It can be used alone to prescribe and / or test drug interactions within a prescription. It can be linked to any application thanks to its command line parameters.
Kalzium	Kalzium is your digital replacement for the periodic table on paper. It ss a program that visualizes the Periodic Table of Elements (PSE) and includes basic information about all common elements in the PSE. It has a gained much more functions over time.
Mpqc	MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation.
PaDEL	PaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminer	RapidMiner is unquestionably the world-leading open-source system for data mining. It is available as a stand-alone application for data analysis and as a data mining engine for the integration into own products.
Weka	Collection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
Xdrawchem	XDrawChem is a two-dimensional molecule drawing program for Unix operating systems. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft).