Features:

• Converts units
• Converts SMILES MolFiles
• Handles duplicate compounds
• Adds InChI keys and molecular weights
• Removes special characters from the header
• Removes NA activities and values
• Neutralizes charges
• Removes salts / other chemical fragments
• Uses decision boundary to binarize values
• Can use > < = qualifiers to filter and remove ambiguous values
• Removes duplicate values that don’t match agreement ratio (fraction of similar binary values)
• Returns rows w/ matching or mismatched values in two datasets
• Can search by InChI key conversion or raw values
• Uses ECFP (adjustable radius and bit) or MACCs fingerprints to generate similarity matrix values and graphic
• Can use same dataset for each axis or upload a different one
• Generates t-SNE for ECFP (adjustable radius and bit), MACCs, other quantifiable descriptors, or ECFP + other descriptors
• Other descriptors are z-normalized
• Generates plot which can be edited and downloaded as SVG or PNG