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  ---
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  license: mit
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  pretty_name: AggregatorAdvisor
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- dataset_summary: >-
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- Aggregator Advisor identifies molecules that are known-to aggregate or may aggregate in biochemical assays.
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- The approach is based on the chemical similarity to known aggregators, and physical properties.
 
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  citation: >-
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- @article{Irwin2015,
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- title = {An Aggregation Advisor for Ligand Discovery},
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- volume = {58},
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- ISSN = {1520-4804},
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- url = {http://dx.doi.org/10.1021/acs.jmedchem.5b01105},
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- DOI = {10.1021/acs.jmedchem.5b01105},
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- number = {17},
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- journal = {Journal of Medicinal Chemistry},
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- publisher = {American Chemical Society (ACS)},
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- author = {Irwin, John J. and Duan, Da and Torosyan, Hayarpi and Doak, Allison K. and Ziebart, Kristin T. and Sterling, Teague and Tumanian, Gurgen and Shoichet, Brian K.},
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- year = {2015},
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- month = aug,
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- pages = {7076–7087}
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- }
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  config_names:
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  - AggregatorAdvisor
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  configs:
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  path: AggregatorAdvisor/test.csv
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  - split: train
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  path: AggregatorAdvisor/train.csv
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- ---
 
 
 
 
 
 
 
 
 
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  ---
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  license: mit
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  pretty_name: AggregatorAdvisor
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+ dataset_summary: >-
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+ Aggregator Advisor identifies molecules that are known-to aggregate or may
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+ aggregate in biochemical assays. The approach is based on the chemical
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+ similarity to known aggregators, and physical properties.
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  citation: >-
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+ @article{Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
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+ volume = {58}, ISSN = {1520-4804}, url =
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+ {http://dx.doi.org/10.1021/acs.jmedchem.5b01105}, DOI =
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+ {10.1021/acs.jmedchem.5b01105}, number = {17}, journal = {Journal of Medicinal
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+ Chemistry}, publisher = {American Chemical Society (ACS)}, author = {Irwin,
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+ John J. and Duan, Da and Torosyan, Hayarpi and Doak, Allison K. and
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+ Ziebart, Kristin T. and Sterling, Teague and Tumanian, Gurgen and
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+ Shoichet, Brian K.}, year = {2015}, month = aug, pages = {7076–7087} }
 
 
 
 
 
 
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  config_names:
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  - AggregatorAdvisor
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  configs:
 
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  path: AggregatorAdvisor/test.csv
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  - split: train
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  path: AggregatorAdvisor/train.csv
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+ language:
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+ - en
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+ tags:
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+ - chemistry
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+ - medicinal chemistry
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+ - aggregation
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+ size_categories:
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+ - 10K<n<100K
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+ ---