Datasets:
Update README.md
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README.md
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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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pretty_name: AggregatorAdvisor
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size_categories:
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- 10K<n<100K
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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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The approach is based on the chemical
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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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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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tags:
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- chemistry
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- medicinal chemistry
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pretty_name: AggregatorAdvisor
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size_categories:
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- 10K<n<100K
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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. The Aggregator
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Advisor dataset contains 12645 compounds from 20 different sources.
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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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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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