Search Results for "drug"
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28 projects for "drug" with 1 filter applied:
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PyRx - Virtual Screening Tool
Virtual Screening software for Computational Drug Discovery
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes... -
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Aestel
Applications for data management
.... (Postgres and Oracle have been tested). The two applications have been initially developed for small molecule drug discovery research. However, they can be extended for use in other data domains. -
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dopewars is a drug dealing game based on "Drug Wars" by John E. Dell. Originally set in New York, your aim is to deal in drugs and make your fortune... See the website at https://dopewars.sourceforge.io for more information.
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OpenVigil
Open pharmacovigilance data extraction, mining and analysis tool
OpenVigil provides a webinterface to analyse pharmacovigilance data, i.e., spontanous or systematic collections of treatments (drugs) and observed adverse events ("drug side effects"). FDA Adverse Event Reporting System (AERS) and other pharmacovigilance data (e.g., Canadian or German) are supported. The OpenVigil web-based analysis tools offer several analysis modes like extraction, filtering, mining of data and analyses via measurements of disproportionality like proportional reporting ratio... -
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Toxtree: Toxic Hazard Estimation
Toxicity prediction for chemical compounds
A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated Drug... -
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SMSD
SMSD is a Java based software library for calculating MCS.
SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure). -
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BioPPSy
A biochemical property prediction system
Computationally predicts the pharmacokinetic properties of drug candidates using Quantitative Structure Property Relationships (QSPR) modelling. Assembles a set of tools and databases for predicting the physical properties of small molecules. The program models a given property's dependence on a collection of molecular and structural descriptors using a training set of molecules. Neural networks and support vector regression are available, as well as linear models. The models generated... -
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MolTPC
MolTPC provides a solution for fully automatic tautomer enumeration.
Besides all their conformational degrees of freedom, drug-like molecules and natural products often also undergo tautomeric interconversions. Compared to the huge efforts made in experimental investigation of tautomerism, open and free algorithmic solutions for prototropic tautomer generation are surprisingly rare. The few freely available software packages limit their output to a subset of the possible configurational space by sometimes unwanted prior assumptions and complete neglection... -
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Magnetic Drug Targeting (MDT) simulation and visualization in traversal and longtitudinal mode.
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AutoMap
AutoMap is a tool for structural biology and drug design.
AutoMap takes a series of poses obtained from molecular docking and applies the site, epitope and conformational mapping techniques to the poses to select likely ligand binding modes. -
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NanoHive is a modular simulator used for modelling the physical world at a nanometer scale. The intended purpose of the simulator is to act as a tool for the study and development of nanotech entities. The project will also focus on the simulation of complex biological applications such as Targeted Drug Delivery by simulating nanowires, magnetic nanoparticles and others. Updates will follow from January 2017.
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PopED (Population Experimental Design) is a software tool for computing optimal experimental designs. The software has been developed with an emphasis on drug trials based on population models (non-linear mixed effects models).
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... needs to "re-certify" with SureScripts (which should not be much of a problem) Work on eLabs (using ELINCS, LOINC etc.) is being considered as participants join the project become available. The HL7 RIM allows for eImaging applications, eConsults applications, eReferrals applications, etc. Applications work independently, but through HIE, results come back to the provider to see it in its "CPOE Section or Module" Requires licensing of the MediSpan Drug Database for ePrescrib
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STI analysis and forecasting
Analysis of drug resistance and epidemiology of STI (STD) in Russia
The STIanafor is a tool for spatio-temporal data vizualization, analysis and forecast of incidence of sexually-transmitted diseases and drug resistance of pathogens in the Russian Federation. Currently supports gonorrhoea (N. gonorrhoeae) and syphilis (T. pallidum). A set of real data for testing is provided. -
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We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. In silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization.
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DopeWars on Java
Classic Dopewars for JAVA
A FORK of an unfinished project implementing Classic Dopewars. In 2008 i did a little bit of work to it to try and learn some programming skills, now i'm creating a sourceforge project and a git repo in order to try and really do it this time. Features, XML location and drug descriptors at least half of the features of classic dopewars. meaning travel and drug dealing. -
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This pharmacovigilance web application permits you to process a query on the Adverse Event Reporting System (AERS) data which is published by the U.S. Food and Drug Administration (FDA) and is available from 2004 up to the last quarter of the year.
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This software is developed by Kalidas (http://openwetware.org/wiki/Kalidas_Y) as part of his Ph.D. thesis. The method enables alignment of ligand molecules considered molecular graphs. It is useful in the domain of drug discovery and bioinformatics.
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PocketDepth helps determine binding grooves for protein molecules. Applicable in Bioinformatics and Drug discovery. Literature - http://www.ncbi.nlm.nih.gov/pubmed/17949996 Author's thesis - http://openwetware.org/wiki/Kalidas_Y
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Acidblood is not some drug or some lame band name. Yes, it is an IRC robot. I wanted to write my own that I knew had no backdoors and would be easy to setup and fast.
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Zodiac is a Molecular Modelling suite for drug design. Its features include support for haptic devices and nintendo wiimote fully undoable command list, MMFF94 implementation, POVRAY output.
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A PG-rated version of the original Drug Wars game. Move from city to city, buying and selling gum. You will have to save, invest, and borrow money in order to get a high score. Play an online demo at www.topwebsolutions.com/GW
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Latronix Regnum Arts - Open Source Faction is an open source and freeware developer for all sorts of goodies. Be it games or applications. This is the home for the Drug Turfs Game (A Drug Wars like game) and the Drug Turfs Library.
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Eve is intended to be a Haskell-derived language with more familiar (Python/Rubyish) syntax. Short term, think of it as a gateway drug to Haskell for Python/Ruby programmers. Long-term, it's intended to be a practical (DB/webapp/GUI-enabled) Haskell.
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A drug dealing game based on the classic drug wars, which takes place in Buenos Aires, Argentina, and integrates events from the local scene and culture.