Pursuing a Prospective Perspective

Steven Kearnes

doi:10.1016/j.trechm.2020.10.012

2021-02-01

Steven Kearnes *

DOI：10.1016/j.trechm.2020.10.012

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摘要

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Retrospective testing of predictive models does not consider the real-world context in which models are deployed. Prospective validation, however, enables meaningful comparisons between data generation processes by incorporating trained models and considering the subjective decisions that affect reproducibility. Prospective experiments are essential for consistent progress in modeling.

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期刊

Trends in Chemistry

IF:

13.6

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825

被引数:

5.7K

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Google Incorporated

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论文数: 1.8K

被引数: 8

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