Compound Data Sets For Differential Evolution Calculation And A Descriptor List
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Nine compound activity classes were assembled from ChEMBL version 22 as described in reference 1. In addition, the descriptor list reported in reference 1 is provided. Reference: 1 Miyao T, Funatsu K and Bajorath J. Exploring differential evolution for inverse QSAR analysis. F1000Research 2017, <strong>6</strong>(Chemical Inf Sci): 1285
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Zenodo创建时间：
2017-08-31
