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ChemWindow

ChemWindow is the software chemists choose for chemical structure drawing and publishing worldwide. It also offers integrated solutions to modify, store, search, and retrieve chemical structures and properties from databases, and molecular rendering.

• Publisher: SoftShell International Ltd. 
• Last updated: March 22nd, 2010

ACD/ADME Suite

Software used in the prediction of ADME properties from chemical structure. ACD/ADME Suite is a collection of software modules that provide predictions relating to the pharmacokinetic profiling of compounds, specifically their Absorption, Distribution, Metabolism, and Excretion properties.

• Publisher: Advanced Chemistry Development, Inc.
• Home page: www.acdlabs.com
• Last updated: June 8th, 2012

ACD/Tox Suite

ACD/Tox Suite is a collection of software modules that predict probabilities for basic toxicity endpoints. You can customize your prediction suite by choosing from a number of expert modules including hERG Inhibition, CYP3A4 Inhibition, Genotoxicity, Acute Toxicity, Aquatic Toxicity, Eye/Skin Irritation, Endocrine System Disruption, and Health Effects.

• Publisher: Advanced Chemistry Development, Inc.
• Home page: www.acdlabs.com
• Last updated: November 22nd, 2011

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ChemDBsoft Lite Demo

ChemDBsoft is used for creation and supporting of chemical databases. The basic field in ChemDBsoft is a chemical structure others are of various types and are defined by user. Features: - Drawing of structures, - Search by structure, substructure and similarity, - Free database of available organic compounds, building Blocks and intermediates

• Publisher: A+ Scientific, LLC
• Home page: www.chemdbsoft.com
• Last updated: March 8th, 2008

Aldrich Spectral Viewer

The Aldrich Spectral Viewer is an electronic reference book on CD-ROM that contains thousands of actual spectra from the Aldrich spectral libraries.This easy-to-use software program is more powerful than a printed book, allowing text and data field searching and the manipulation, printing, and exporting of spectra.

• Publisher: Sigma-Aldrich Co.
• Home page: www.sigmaaldrich.com
• Last updated: March 7th, 2011

ECOSAR

The Ecological Structure Activity Relationships (ECOSAR) Class Program is a computerized predictive system that estimates aquatic toxicity. The program estimates a chemical's acute (short-term) toxicity and chronic (long-term or delayed) toxicity to aquatic organisms such as fish, aquatic invertebrates, and aquatic plants by using computerized Structure Activity Relationships (SARs).

• Publisher: US Environmental Protection Agency
• Last updated: October 27th, 2011

TouchMol

TouchMol help chemists to draw, share and search chemical and biological structures. Main features: - Draw structures with fingers on touch screens. - Integrated Name/CAS-to-Structure. - Peroform fast structure search in. - Supporting chemical reactions. - Supporting biologics.

• Publisher: Scilligence
• Last updated: June 29th, 2015

DBF Doctor

Damaged or corrupt DBF files? Don't panic... Call on DBF Doctor for your DBF fix. DBF repair goes quickly and smoothly with this exclusive technology from Astersoft Co. Open a damaged DBF file and you'll often see only error messages or gibberish. In minutes, DBF Doctor fixes headers in your file and more - analyzing data structures deep within your file.

• Publisher: Astersoft Co.
• Last updated: February 5th, 2021

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PerkinElmer ChemDraw Professional

ChemDraw Professional helps you quickly turn your chemical engineering ideas into drawings and research publications. It facilitates the management, reporting, and presentation of your Chemistry research. ChemDraw allows for an easy search of the latest research papers and their inclusion in your list of references.

• Publisher: PerkinElmer Informatics, Inc.
• Last updated: March 30th, 2023

PASS & PharmaExpert

PASS & PharmaExpert is a program that estimates the probable biological activity profiles for compounds under study based on their structural formulae presented in MOLfile or SDfile format. It also analyzes the relationships between biological activities, drug-drug interactions and multiple targeting of chemical compounds.

• Publisher: PASS
• Home page: www.pharmaexpert.ru
• Last updated: October 22nd, 2014

EdiSDF

EdiSDF provides visualisation, management and edition of Structure Data Files (SDF) molecular files. The EdiSDF program is a part of the ISIDA project. ISIDA is a collaborative project between the Laboratory of Chemoinformatics by Prof. A. Varnek (Louis Pasteur Univ. of Strasbourg, FRANCE) and Dr. V. P. Solov'ev (Russian Academy of Sciences).

• Publisher: Laboratoire d'Infochimie
• Last updated: February 20th, 2012

Atoms, Bonding and Structure

Unique interactive multimedia Chemistry teaching software. Topics include: elements, compounds, mixtures, atomic structure, ionic bonding, covalent bonding, bond energies and the Periodic Table.

• Publisher: Raylec Software
• Last updated: March 28th, 2008

CAS Structure Editor

CAS Structure Editor is a standalone program designed for customers that are not able to use the Java based editor or those still experiencing problems. The program can be used in conjunction with SciFinder and it allows you to create structure queries offline and then import them to SciFinder.

• Publisher: American Chemical Society
• Last updated: January 6th, 2014

GaussView

GaussView is the most advanced and powerful graphical interface available for Gaussian. With GaussView, you can import or build the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and retrieve and view the results, all without ever leaving the application.

• Publisher: gaussian.com
• Last updated: February 11th, 2019

ChemDraw Ultra

ChemDraw features stereochemistry, atom numbering, structure & style templates, a large choice of bonds & arrows, full color drawing, and more.

• Publisher: CambridgeSoft Corporation
• Last updated: May 26th, 2020

CambridgeSoft BioAssay

BioAssay it is designed for chemists and biologists working on pharmaceutical, drug or gene research and is of particular value for researchers performing in vivo experiments with complex models. Integrate chemical and biological data. Query by structure or text with ChemFinder and set up Excel templates for reporting and graphing. BioAssay is available for the Windows platform only.

• Publisher: CambridgeSoft Corporation
• Last updated: August 8th, 2009

PyMOL

PyMOL can interpret over 30 different file formats from PDB files to multi-SDF files to volumetric electron density maps. PyMOL's straightforward graphical user interface allows first-time and expert users alike to create stunning 3-D images from their favorite file formats.

• Publisher: Schrodinger, LLC
• Last updated: June 16th, 2023

CrystalMaker

CrystalMaker provides a streamlined workflow that majors on productivity: just drag-and-drop your data files into the program for instant display in spectacular photo-realistic colour. Manipulate structures in real time, with the mouse. Multiple View "bookmarks" and undo levels encourage exploration and discovery - ideal for teaching and research.

• Publisher: CrystalMaker Software Ltd
• Last updated: July 18th, 2023