Open3DQSAR x64
- Downloads:
- Views:
- Rating:

Open3DQSAR x64 is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a small SPL script).
Subsequently, Open3DQSAR performs fast, automated PLS chemometric analysis of MIFs allowing to quickly generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable selection and data scrambling procedures, etc. High computational performance is attained through implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection.
FEATURES:
· Multi-threaded computation of MIFs (both MM and QM); support for MMFF94 and GAFF force-fields with automated assignment of atom types to the imported molecular structures
· Comprehensive output, including SDF molecular databases, 3D maps and many different plots to ease immediate evaluation of results in PyMOL, MOE, Maestro, SYBYL and gnuplot
· User-friendly interface to all major QM packages (e.g. GAUSSIAN, FIREFLY, GAMESS-US, MOLDEN) allows calculation of QM electron density and electrostatic potential 3D maps from within Open3DQSAR
· User-friendly interface to Molecular Discovery GRID to compute GRID MIFs from within Open3DQSAR
Free download from Shareware Connection - Designed for high-throughput chemometric analysis of molecular interaction
Version: 2.107 | Size: 1229 KB | Platform: WinOther
Released Date: 18-07-2012 | Rating: 0 | Title: Open3DQSAR x64
Author Url: http://open3dgrid.sourceforge.net/
Program Info Url: http://open3dgrid.sourceforge.net/
Download Url: http://sourceforge.net/projects/open3dqsar/files/binaries/windows/open3dqsar-2.107_windows_64_sse2_setup.exe/download
Screenshot Url: http://open3dqsar.sourceforge.net/images/o3q_windows.png
Open3DQSAR - Designed for high-throughput chemometric analysis of molecular interaction
Open3DALIGN x64 - View an analyze molecular alignment with this tool
Open3DALIGN - View an analyze molecular alignment with this tool
Open3DGRID x64 - High-throughput generation of molecular interaction fields
Open3DGRID - High-throughput generation of molecular interaction fields
Import Points for AutoCAD
Ez-Architect
ABViewer
My Hatch
DipTrace
Home Plan Pro
DipTrace Free
Import Shapes (ESRI)
JustCad
Raster Manager
Cartoon Maker
ThumbNail Viewer
Capture Perfect
Virtual Fashion Professional
Animation
Audio Encoders & Decoders
Audio File Players
Audio File Recorders
Audio
Authoring Tools
CD & DVD Tools
Composition
Desktop Publishing
Fonts
Graphic Capture
Graphic Viewers
Illustration
Image Editing
Ethernet Throughput
Isp Throughput
Throughput Testing
Throughput Measurement
Freeware Throughput
Open3DQSAR - Designed for high-throughput chemometric analysis of molecular interaction
SeisLab - A set of 140 functions (plus support functions called by them) for analysis and display of exploration-seismic data and well logs.
PedScope x64 - PedScope x64 is a standalone Windows and Mac application for advanced pedigree analysis, with applications in captive breeding programmes for endanged species conservation and safe breeding practices within closed or small populations such as pedigre
Speak Logic Information Analysis Desktop V2012 2012 R2.1 - Information Analysis Dekstop Enables user to analyze information in desktop
Speak Logic Information Analysis Desktop - Information Analysis Dekstop Enables user to analyze information in desktop
Shareware Connection periodically updates pricing and software information of 'Open3DQSAR x64' from company source 'Paolo Tosco' , so some information may be slightly out-of-date. You should confirm all information before relying on it. Software piracy is theft, Using 'Open3DQSAR x64' crack, password, serial numbers, registration codes, key generators is illegal and prevent future development of Open3DQSAR x64.
CyberGhost VPN - There are so many ways available to browse the web nowadays. You can use a plethora of devices and pick from various service providers to get online. However, tech savvy users resort to additional measures to access the internet without being ...
KeePass Password Safe - Using password becomes mandatory for performing various online operations, at both home and workplace. For accessing email accounts, shopping online, making banking transactions and similar tasks it is necessary to use user ids and passwords ...
DriverPack Solution Professional - To keep your laptop or desktop performing well consistently, it is important to pay attention to some aspects. Using top antivirus utility, cleaning up junk feels periodically are some such examples. However, you also need to keep drivers of ...
CleanMyDrive - PC experts unanimously agree that using Macs tend to be a smoother and faster experience than running Windows based PCs but the Apple laptops and desktops also need maintenance and performance tweaking, occasionally. Regular web browsing, ...
Plants vs. Zombies 2 - These days there are lot of tower defense games on offer. Coming from the stable of Electronics Arts, which is one of the leading companies in the gaming arena, Plant vs. Zombies is a decent game particularly if you are interested in garden ...
Xvirus Personal Guard - Nowadays, it is quite risky to use a computer without having suitable security suite or antivirus installed in it. Your computer’s security can be breached any moment without a suitable antivirus or Internet security software. There are so ...
MiniTool Partition Wizard Home Edition - It is true that you need a powerful CPU and adequate amounts of RAM to keep your computer running smoothly. However, it is also necessary to ensure that the hard disk remains in top condition. Hard disk needs to be properly optimized and ...
Zebra Total Video Converter - Using video conversion software is something most PC users have become accustomed to nowadays. Given the fact nearly all smart phones, tablets sport HD recording features and cameras have become small enough to be put in pockets, recording voices ...
Haihaisoft HUPlayer .4.5v - People use various types of media software to play back audio and video files in their PCs. While a majority of users stick with the bundled Windows Media player, some others opt for commercial and third party alternatives. If you want something ...
Norton Security with Backup - Symantec is an old time player in PC security and its various security suites with Norton brand name are used all over the world. With time, Norton security apps have been tweaked to consume fewer resources and they come with several bells and ...


