Compounds

Calculates conversion factors between compounds. Searches quantities of compounds in mixtures (sulutions). You can enter the desired quantities of the elements in the mix and you get the quantities of the entered compounds that have to be mixed. Platforms: Windows, Windows CE

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... Platforms: Windows

PaDEL-DDPredictor is developed as an accessible and useful application that can calculate the absorption, distribution, metabolism, excretion and toxicological (ADMET) properties of chemical compounds. PaDEL-DDPredictor was developed with the help of the Java programming language and can run on... Platforms: Windows

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 prediction -Eye irritation prediction -Benigni / Bossa... Platforms: Windows, Mac, Linux

Set of functions providing the attenuation and energy absorption coefficients of x-ray and gamma-ray photons in various materials, based on NIST report 5632, by J. Hubbell and S.M. Seltzer.X = PhotonAttenuation(Material, Energy, Options, Thickness)Function providing the attenuation and energy... Platforms: Matlab

GC-EAD is coupled gas chromatography - electroantennographic detection. It is an analytical procedure that permits the rapid identification of compounds in complex mixtures that stimulate the olfactory sensilla of an insect. In other words, it can tell you what specific chemicals an insect can... Platforms: Mac

This highly functional and easy to use Scientific Calculator is a must for science students. The main calculator has over 40 functions while an extensive number of utilities, tools and science data reference systems can be called. The calculator contains one of the most extensive measurement... Platforms: Windows, Windows 8, Windows 7, Windows Server

Chemical Equation Expert is an integrated tool for chemistry professionals and students. You'll find complicated work such as balancing chemical equations and related calculations so easy and even enjoyable! Key Feafures - 1. An intelligent balancer Chemical Equation Expert balances chemical... Platforms: Windows

Password Hasher enables a good security practice. What good security practice demands: * Strong passwords that are hard to guess. * Different passwords at each site. * Periodically changing existing passwords. Why you probably arent practicing good security: * Strong passwords are... Platforms: *nix

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Windows

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Mac

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Windows

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Linux

The standard middleware to create and deploy parallel OpenGL-based applications. It enables applications to benefit from multiple graphics cards, processors and computers to scale rendering performance, visual quality and display size. - Subpixel compounds for full-scene anti-aliasing (FSAA) or... Platforms: Mac

CytoSEED was built as a Cytoscape plugin that can help you view, manipulate and analyze metabolic models created using the Model SEED. The CytoSEED plugin was designed in order to enable users of the Model SEED to create informative visualizations of the reaction networks generated for their... Platforms: Windows, Windows Vista, 7

COCO (CAPE-OPEN to CAPE-OPEN) is a free-of-charge CAPE-OPEN compliant steady-state simulation environment consisting of the following components: COFE - the CAPE-OPEN Flowsheet Environment is an intuitive graphical user interface to flow-sheeting. COFE has sequential solution algorithm using... Platforms: Windows, Windows 7, Windows Server, Other

Molarity is a simple application that enables you to adjust a drinks' concentration. What determines the concentration of a solution? What determines the concentration of a solution? Learn about the relationships between moles, liters, and molarity by adjusting the amount of solute and solution... Platforms: Windows, Mac, Linux, Java

AMBIT offers chemoinformatics functionality via REST web services and desktop applications. Chemical compounds and data storage in MySQL database; substructure, similarity and other queries, descriptor calculation and predictive models building. Platforms: Windows, Mac, Linux

Information manager based on 3D cubes of knwoledgments. You can create a cube with 3 axis (or dimensions), each of them with several elements. The nexus between the elements of three axis compounds a value. From a cube, you can create 2D view queries Platforms: Windows, Mac, Linux

"It takes from 10 to 15 years to bring a new drug to market?at a cost rapidly approaching $1 billion. A key contributor to these staggering costs is late-stage failure: Of every 250 compounds that enter preclinical testing, only five proceed into clinical trials, and only one will be approved by... Platforms: Matlab