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• W2025421550 endingPage "1820" @default.
• W2025421550 startingPage "1810" @default.
• W2025421550 abstract "2D and 3D QSAR techniques are widely used in lead optimization-like processes. A compilation of 40 diverse data sets is described. It is proposed that these can be used as a common benchmark sample for comparisons of QSAR methodologies, primarily in terms of predictive ability. Use of this benchmark set will be useful for both assessment of new methods and for optimization of existing methods." @default.
• W2025421550 created "2016-06-24" @default.
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• W2025421550 date "2009-07-02" @default.
• W2025421550 modified "2023-09-23" @default.
• W2025421550 title "Comparison Data Sets for Benchmarking QSAR Methodologies in Lead Optimization" @default.
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• W2025421550 doi "https://doi.org/10.1021/ci900117m" @default.
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