ACD/ChemFolder

Knowledge management software for chemical structures, properties, experimental data, and more.

Product Discontinued

With the release of our version 2012 software, ACD/ChemFolder has been discontinued. It has been redeveloped into ACD/Spectrus DB, with enhanced capabilities to handle analytical data.

Existing software users, review our Release Version 2012 Information or contact ACD/Labs to discuss migration plans. This product was retired as of April 2013; as per our End-of-Life Policy, technical support will be provided until April 2015.

ACD/ChemFolder allows you to create and manage databases containing thousands of chemical structures and data, reactions, reports, and other supporting material as a means of harmonizing chemical knowledge. ACD/ChemFolder is flexible and easily customized to meet the specific needs of individuals and groups.

Features

  • Highly flexible search capabilities with an extensive range of basic and advanced search capabilities including structure similarity, sub-structure, and text-based parameters
  • Create databases of up to 512,000 records, each with up to 16,000 data fields
  • Advanced reaction mapping tools let you create multi-step reaction schema, biotransformation pathways, and metabolic pathways
  • Customized forms for data entry
  • Automatic calculation of predicted molecular properties for structures in database records and reaction schema
    • Molar Refractivity
    • Molar Volume
    • Parachor
    • Index of refraction
    • Surface tension
    • Density
    • Dielectric Constant (for hydrocarbons)
    • Polarizability

Benefits

  • Capture and protect chemical data for more efficient research
  • Visualize sets of interconnected chemical relationships more easily
  • Reduce time spent searching for data
  • Standardize data collection and reporting

ACD/ChemFolder can be configured with additional features such the ability to predict physicochemical properties (logD, logP, pKa, aqueous and DMSO solubility), predict ADME and Tox properties, generate systematic nomenclature based on chemical structure, and allow database information to be shared over the internet.

Additional Resources

Full List of Features

Compatible File Formats

Format Name File Extension Input* Output Comment
ACD/Labs ChemFolder Database file .cfd checkmark checkmark ACD/Labs standard structure and reaction database format
ACD/Labs Database ID List File .lst checkmark checkmark Database subsets can be saved as lists for future comparisons, mergers, intersect and exclusion selections
MDL SDfile .sdf checkmark checkmark Import and export options enabled
SDF Viewer mode: browse and search SDfiles
MDL RDfile .rdf checkmark checkmark Import and export options enabled
MDL molfire .mol checkmark checkmark  
MDL RXNfile .rxn checkmark checkmark* REACCS RXN format; Import and export options enabled
SMILES strings .txt checkmark checkmark* Simplified Molecular Input Line Entry Specification
ChemSketch drawing .sk2 ** ** Compact vector based drawing in ChemSketch can be updated to ChemFolder and are fully editable
Images † .gif, .tif, .wmf, etc. ** ** Limited support for standard image formats provided through the ChemSketch module only without editing capabilities
Tables .txt, .sdf   ‡ Data represented in Table view can be exported to a text file or SDfiles (excluding structures, images, and interactive objects)

 * 

For molfile or rxnfile, export option only apply for individual structure or a single reaction per record.

 ** 

Drawings produced in the ACD/ChemSketch module can be updated to ACD/ChemFolder. Even if your favorite image format (e.g. GIF) is not directly supported, you may be able to paste or import images from external drawing programs into ACD/ChemSketch, and then to update the image to ACD/ChemFolder.

 † 

Images and structures can be pasted from Clipboard in the ACD/ChemFolder database window.

 ‡ 

Since Table view presents a spreadsheet-like view of the database content, the Table View mode supports the export of selected columns to either SDfile formats or a tab delimited text file.