ChemLocator makes use of several Chemaxon tools for extracting the chemical molecules from various file formats. The following file formats are supported:

    • Chemaxon MRV
    • JChem, ISIS or ChemDraw for Excel workbook
    • Document to Structure processes PDF, HTML, XML, text files and office file formats: DOC, DOCX, PPT, PPTX, XLS, XLSX, ODT. It recognizes and converts the chemical names (IUPAC, CAS, common and drug names), SMILES and InChI found in the document into chemical structures.
    • Document to Structure converts the chemical structures from OLE objects – created by various chemical sketchers such as Marvin, ChemDraw, ISIS/DRAW, SYMYX DRAW, and Accelrys Draw – embedded in office documents.
    • MDL SD File (this group of files may include filetypes having different extensions, for example, .rgf, which means SDF format containing R-group definitions or .csrgf, which is the compressed format of .rgf.)
    • MDL RD File
    • List of SMILES strings
    • List of Chemaxon extended smiles strings
    • List of IUPAC names
    • ISISDraw sketch file - SKC
    • ChemDraw sketch file - CDX, CDXML

    For structures represented as images in PDF or Office documents, Document to Structure can make use of several Image to Structure tools (also called Optical Structure Recognition or Chemical OCR).

    Currently, the supported Image to Structure tools are: