Download Shareware and Freeware Software for Windows, Linux, Macintosh, PDA

line Home  |  About Us  |  Link To Us  |  FAQ  |  Contact

Serving Software Downloads in 976 Categories, Downloaded 29.546.633 Times

CDK Descriptor Calculator 1.1.1

Company: Rajarshi Guha
Date Added: September 02, 2013  |  Visits: 170

CDK Descriptor Calculator

Report Broken Link
Printer Friendly Version


Product Homepage
Download (18 downloads)



Features<br /><br /> 1. Automatically detects descriptor classes defined in the CDK QSAR descriptor dictionary<br /> 2. Groups of descriptors and individual descriptors can be selected for evaluation<br /> 3. Input can be SDF or SMI formats<br /> 4. Output can be a variety of delimited text formats, annotated SDF or ARFF<br /> 5. Can evaluate fingerprints (hashed, MACCS, EState)<br /> 6. See here for a summary overview of the available descriptors and their names. Note that since the list is generated from the nightly build, there may be some listed that are ot available in the current GUI

Requirements: No special requirements
Platforms: Mac, Mac OSX
Keyword: Annotated Build Current Defined Dictionary Estate Evaluate Fingerprints Generated Hashed Listed Maccs Names Nightly Overview Summary
Users rating: 0/10

License: Freeware Size: 4.26 MB
USER REVIEWS
More Reviews or Write Review


CDK DESCRIPTOR CALCULATOR RELATED
Business  -  HOA Pro 1.0
Are you performing the field operations of a Homeowner Association (HOA)? Theres an app for that. Pull out your smartphone or tablet, and it will now display a short list of the homes near your current location. Tap on a home...
39.5 MB  
Password Generators  -  Password Pond 1.0
Password pond allows you to quickly generate passwords using various options. Passwords can be generated using alphabets, numbers, special characters and a special user defined dictionary. Generated password list can be copied to the clipboard. It...
883 KB  
Programming  -  JabRef 2.8
JabRef is an open source bibliography reference manager. The native file format used by JabRef is BibTeX, the standard LaTeX bibliography format. JabRef runs on the Java VM (version 1.5 or newer), and should work equally well on Windows, Linux and...
11.55 MB  
Libraries  -  libhtmlTemplate 1.1.0
libhtmlTemplate, is a library to aid developers to separate content from code. libhtmlTemplate is very simple, small and easy to use, its my first c++ project, so any feedback with the purpose of helping to improve the library is welcome as well...
26.62 KB  
Graphical Text Tools  -  AutoTRAX DEX 9
AutoTRAX is a powerful integrated Electronic Design Application for Electronic Engineers. It has all the features you expect and need to rapidly and easily take your design from conception through to production. Its in-built hierarchical project...
82.96 MB  
Home & Leisure  -  Keep Your Word for Mac OS 2.1
Are you studing a new language? Your class notebook is an endless list of vocabulary that you have to learn? You remember that your teacher told you how to say a lot of useful things but, can you find them in your notebook? Keep Your Word lets you...
2.2 MB  
Programming  -  Schedaddle 0.1.0
Schedaddle is a Python module for getting dates and times on scheduled intervals. For more information, see http://www.davisd.com/projects/python-schedaddle Typical Usage is as follows: #!/usr/bin/env python
20.48 KB  
Business  -  ELCA 2013 Churchwide Assembly 2.1.5
As part of the commitment of the Evangelical Lutheran Church in America to care for creation, voting members for the 2013 Churchwide Assembly will access information and documentation with this mobile application. There are three main components...
17.5 MB  
Puzzles  -  WordTris 1.5
Letters fall, one at a time, and the user must place them to form words, either horizontally or vertically, Tetris-style. WordTris uses a dictionary of over 30,000 words, acronyms, and names. WordTris has a built-in online high score system which...
2.79 MB  
File Synchronizers  -  JeniuS 1.6
JeniuS is a universal file organizer that lets you organize your files in macro categories (audio, video, images, documents etc.) and micro categories (author, genre, album, movie, photo, icon etc.). Files can be inserted into user-defined albums...
1.4 MB  
NEW DOWNLOADS IN UTILITIES, AUTOMATION TOOLS
Utilities  -  SyncMate 6.7
SyncMate syncs data on Mac with Android and iOS devices, Windows services (Outlook, Office 365 Business and Office 365 Home accounts), other Macs, Google, Dropbox and iCloud accounts, any mounted storage devices, MTP devices. SyncMate is offered...
56.9 MB  
Utilities  -  Programmer's Tool 1.3.4
Programmer's Tool is a utility to run common tasks using global hotkeys. It stays in the notification area (commonly referred to as the system tray) of Windows desktop. For example, when working on Notepad, you can hit the Shortcut key Ctrl +...
1.41 MB  
Utilities  -  iBoostUp 5.6
Has your Mac become slow and unresponsive? Has it lost some of the zing it used to have? Are you getting unexpected crashes and error messages? Is your Macbook getting hot and the fan running constantly? If so, you need to download iBoostUp....
8.5 MB  
Utilities  -  Classic FTP Free for Mac 3.04
Classic FTP Free for Mac is the most stable and comprehensive FTP client available. The graphic user interface is easy to learn and use. Classic FTP Free helps maintain your website by uploading and downloading files quickly and efficiently....
1.62 MB  
Utilities  -  IDM Backup Manager 1.0.0
IDM Backup Manager is a lightweight backup alternative for profiles stored inside Internet Download Manager (IDM for short) that can also clean up your IDM configuration. Its a recommendable choice for IDM users, seeing as backup and restore...
1.82 MB  
Automation Tools  -  Birthday Finder 1.0
This is an Automator Action For Mac Only. It Finds Your Birthdays you put in the Address Book And reads Them out to you
337.92 KB  
Automation Tools  -  Website Popup 1.0
Website Popup is a free Automator action designed to display a floating HUD window, showing the website whose URL is passed from the previous action in the workflow. Its action view contains parameters for (as seen in the attached...
51.2 KB  
Automation Tools  -  Narration Tools 1.0
Narration Tools is a collection of two free Automator workflows for creating voice-over tracks for podcasts, and one Automator action for converting audio files to MPEG format. The voice-over workflows use the text-to-speech frameworks...
153.6 KB  
Automation Tools  -  Temporary Storage Actions 1.1
The Temporary Storage Actions Automator action collection contains the following actions: ?*A* Store Disk Item References - This action will store references to the disk items passed from the previous action. ?*A* Retrieve Disk Item...
184.32 KB  
Automation Tools  -  Pages Action Pack 0.1 Beta
Pages Action Pack is a collection of Automator actions that will allow you to easily create a workflow that includes one or more of the included Automator Actions. Installation: To install the Pages Action Pack, just place this bundle...
1.22 MB