Error code:   ConfigNamesError
Exception:    FileNotFoundError
Message:      Couldn't find any data file at /src/services/worker/maomlab/Liability. Couldn't find 'maomlab/Liability' on the Hugging Face Hub either: FileNotFoundError: Unable to find 'hf://datasets/maomlab/Liability@ac3ed7714ab6a945706514fb6ab834c45c582538/Firefly Luciferase Interference.csv' with any supported extension ['.csv', '.tsv', '.json', '.jsonl', '.ndjson', '.parquet', '.geoparquet', '.gpq', '.arrow', '.txt', '.tar', '.blp', '.bmp', '.dib', '.bufr', '.cur', '.pcx', '.dcx', '.dds', '.ps', '.eps', '.fit', '.fits', '.fli', '.flc', '.ftc', '.ftu', '.gbr', '.gif', '.grib', '.h5', '.hdf', '.png', '.apng', '.jp2', '.j2k', '.jpc', '.jpf', '.jpx', '.j2c', '.icns', '.ico', '.im', '.iim', '.tif', '.tiff', '.jfif', '.jpe', '.jpg', '.jpeg', '.mpg', '.mpeg', '.msp', '.pcd', '.pxr', '.pbm', '.pgm', '.ppm', '.pnm', '.psd', '.bw', '.rgb', '.rgba', '.sgi', '.ras', '.tga', '.icb', '.vda', '.vst', '.webp', '.wmf', '.emf', '.xbm', '.xpm', '.BLP', '.BMP', '.DIB', '.BUFR', '.CUR', '.PCX', '.DCX', '.DDS', '.PS', '.EPS', '.FIT', '.FITS', '.FLI', '.FLC', '.FTC', '.FTU', '.GBR', '.GIF', '.GRIB', '.H5', '.HDF', '.PNG', '.APNG', '.JP2', '.J2K', '.JPC', '.JPF', '.JPX', '.J2C', '.ICNS', '.ICO', '.IM', '.IIM', '.TIF', '.TIFF', '.JFIF', '.JPE', '.JPG', '.JPEG', '.MPG', '.MPEG', '.MSP', '.PCD', '.PXR', '.PBM', '.PGM', '.PPM', '.PNM', '.PSD', '.BW', '.RGB', '.RGBA', '.SGI', '.RAS', '.TGA', '.ICB', '.VDA', '.VST', '.WEBP', '.WMF', '.EMF', '.XBM', '.XPM', '.aiff', '.au', '.avr', '.caf', '.flac', '.htk', '.svx', '.mat4', '.mat5', '.mpc2k', '.ogg', '.paf', '.pvf', '.raw', '.rf64', '.sd2', '.sds', '.ircam', '.voc', '.w64', '.wav', '.nist', '.wavex', '.wve', '.xi', '.mp3', '.opus', '.AIFF', '.AU', '.AVR', '.CAF', '.FLAC', '.HTK', '.SVX', '.MAT4', '.MAT5', '.MPC2K', '.OGG', '.PAF', '.PVF', '.RAW', '.RF64', '.SD2', '.SDS', '.IRCAM', '.VOC', '.W64', '.WAV', '.NIST', '.WAVEX', '.WVE', '.XI', '.MP3', '.OPUS', '.zip']
Traceback:    Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/dataset/config_names.py", line 66, in compute_config_names_response
                  config_names = get_dataset_config_names(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/inspect.py", line 164, in get_dataset_config_names
                  dataset_module = dataset_module_factory(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/load.py", line 1667, in dataset_module_factory
                  raise FileNotFoundError(
              FileNotFoundError: Couldn't find any data file at /src/services/worker/maomlab/Liability. Couldn't find 'maomlab/Liability' on the Hugging Face Hub either: FileNotFoundError: Unable to find 'hf://datasets/maomlab/Liability@ac3ed7714ab6a945706514fb6ab834c45c582538/Firefly Luciferase Interference.csv' with any supported extension ['.csv', '.tsv', '.json', '.jsonl', '.ndjson', '.parquet', '.geoparquet', '.gpq', '.arrow', '.txt', '.tar', '.blp', '.bmp', '.dib', '.bufr', '.cur', '.pcx', '.dcx', '.dds', '.ps', '.eps', '.fit', '.fits', '.fli', '.flc', '.ftc', '.ftu', '.gbr', '.gif', '.grib', '.h5', '.hdf', '.png', '.apng', '.jp2', '.j2k', '.jpc', '.jpf', '.jpx', '.j2c', '.icns', '.ico', '.im', '.iim', '.tif', '.tiff', '.jfif', '.jpe', '.jpg', '.jpeg', '.mpg', '.mpeg', '.msp', '.pcd', '.pxr', '.pbm', '.pgm', '.ppm', '.pnm', '.psd', '.bw', '.rgb', '.rgba', '.sgi', '.ras', '.tga', '.icb', '.vda', '.vst', '.webp', '.wmf', '.emf', '.xbm', '.xpm', '.BLP', '.BMP', '.DIB', '.BUFR', '.CUR', '.PCX', '.DCX', '.DDS', '.PS', '.EPS', '.FIT', '.FITS', '.FLI', '.FLC', '.FTC', '.FTU', '.GBR', '.GIF', '.GRIB', '.H5', '.HDF', '.PNG', '.APNG', '.JP2', '.J2K', '.JPC', '.JPF', '.JPX', '.J2C', '.ICNS', '.ICO', '.IM', '.IIM', '.TIF', '.TIFF', '.JFIF', '.JPE', '.JPG', '.JPEG', '.MPG', '.MPEG', '.MSP', '.PCD', '.PXR', '.PBM', '.PGM', '.PPM', '.PNM', '.PSD', '.BW', '.RGB', '.RGBA', '.SGI', '.RAS', '.TGA', '.ICB', '.VDA', '.VST', '.WEBP', '.WMF', '.EMF', '.XBM', '.XPM', '.aiff', '.au', '.avr', '.caf', '.flac', '.htk', '.svx', '.mat4', '.mat5', '.mpc2k', '.ogg', '.paf', '.pvf', '.raw', '.rf64', '.sd2', '.sds', '.ircam', '.voc', '.w64', '.wav', '.nist', '.wavex', '.wve', '.xi', '.mp3', '.opus', '.AIFF', '.AU', '.AVR', '.CAF', '.FLAC', '.HTK', '.SVX', '.MAT4', '.MAT5', '.MPC2K', '.OGG', '.PAF', '.PVF', '.RAW', '.RF64', '.SD2', '.SDS', '.IRCAM', '.VOC', '.W64', '.WAV', '.NIST', '.WAVEX', '.WVE', '.XI', '.MP3', '.OPUS', '.zip']

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Liability (Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds)

“Liability Predictor,” a free web tool to predict HTS artifacts has been created with HTS datasets for thiol reactivity, redox activity, and luciferase (firefly and nano) activity, and each dataset contains ~5000 compounds.

The datasets uploaded to our Hugging Face repository have been sanitized using RDKit and MolVS. If you want to try these processes with the original dataset, please follow the instructions in the Processing Script.py file in the maomlab/Liability.

More specifically, they generated, curated, and integrated HTS data sets for thiol reactivity, redox activity, and luciferase (firefly and nano) activity and developed and validated quantitative structure–interference relationship (QSIR) models to predict these nuisance behaviors. Both the models and the curated data sets were implemented in “Liability Predictor,” publicly available at https://liability.mml.unc.edu/. “Liability Predictor” may be used as part of chemical library design or for triaging HTS hits.

Citation

J. Med. Chem. 2023, 66, 18, 12828–12839 Publication Date:September 7, 2023 https://doi.org/10.1021/acs.jmedchem.3c00482

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