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The Antiviral Competition ResultsSee the results of the Polaris competition, organized by ASAP Discovery and OpenADMET.

Benchmark

Relevant benchmarks

A benchmark wraps a dataset with additional meta-data to turn it into a machine-learning task. Importantly, the meta-data specifies the evaluation logic, such as the split and metrics to use.

Graphic - Benchmark
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(157 benchmarks total)

tdcommons/hia-hou
Single TaskClassification
Split: 461 / 1172024-07-22
tdcommons/bioavailability-ma
Single TaskClassification
Split: 512 / 1282024-07-22
molecularml/moleculeace-chembl244-ki
Single TaskRegression
Split: 2,476 / 6212024-07-24
polaris/adme-fang-hppb-1
Single TaskRegression
Split: 126 / 342023-12-08
cwognum/fang-2023-solubility
Single TaskRegression
Split: 3,000 / 5212024-03-21
molecularml/moleculeace-chembl228-ki
Single TaskRegression
Split: 1,362 / 3422024-07-24
polaris/adme-fang-r-1
Multi TaskRegression
Split: 2,812 / 7042023-12-08
molecularml/moleculeace-chembl287-ki
Single TaskRegression
Split: 1,061 / 2672024-07-24
novartis/adme-novartis-cyp3a4-cls
Single TaskClassification
Split: 16,372 / 3682024-07-15
novartis/adme-novartis-cyp3a4-reg
Single TaskRegression
Split: 16,372 / 3682024-07-15
molecularml/moleculeace-chembl218-ec50
Single TaskRegression
Split: 823 / 2082024-07-24
molecularml/moleculeace-chembl1871-ki
Single TaskRegression
Split: 525 / 1342024-07-24
polaris/adme-fang-rppb-1
Single TaskRegression
Split: 111 / 242023-12-08
polaris/molprop-250k-r-1
Multi TaskRegression
Split: 202,887 / 46,5682023-12-08
molecularml/moleculeace-chembl2034-ki
Single TaskRegression
Split: 598 / 1522024-07-24
polaris/pkis2-egfr-wt-reg-v2
Single TaskRegression
Split: 496 / 1442024-07-15
tdcommons/dili
Single TaskClassification
Split: 379 / 962024-07-22
tdcommons/herg
Single TaskClassification
Split: 523 / 1322024-07-22
polaris/pkis2-ret-wt-c-1
Single TaskClassification
Split: 534 / 1062023-12-08
polaris/pkis2-ret-wt-r-1
Single TaskRegression
Split: 534 / 1062023-12-08

Showing 21 to 40 of 157 benchmarks

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