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 nameDescription
KidoqIt is a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS).
DrugMintDrugMint is a web server developed for predicting drug-likelihood of a compound.
DMKPredIt is a SVM based webserver for the prediction of binding of chemical molecules with specific kinases.
MetaPredMetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
AvogadroAvogadro 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.
BabelConverts between different file formats for computational biology applications.
CDKThe Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
ChemtoolChemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Filter-ITFilter-it calculates the chemical descriptors of chemical molecules
FreediamsIt 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.
KalziumKalzium 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.
MpqcMPQC 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.
RAPIDminerRapidMiner 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.
WekaCollection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
XdrawchemXDrawChem 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 nameDescription
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.

NameDescription
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.

NameDescription
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 nameDescription
ChemtoolChemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
GabeditGabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
GChemPaintGChemPaint allows you to draw and display 2D chemical structures.
KalziumKalzium 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.
PaDELPaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminerRapidMiner 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.
WekaCollection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.

Software nameDescription
AvogadroAvogadro 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.
BabelConverts between different file formats for computational biology applications.
CDKThe Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
ChemtoolChemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Filter-ITFilter-it calculates the chemical descriptors of chemical molecules
FreediamsIt 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.
KalziumKalzium 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.
MpqcMPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation.
PaDELPaDEL is a java based softwer to calculate chemical descriptor.
RAPIDminerRapidMiner 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.
WekaCollection of machine learning algorithms for solving data mining problems implemented in Java and open sourced under the GPL.
XdrawchemXDrawChem 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).