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Weber Jeffrey K. Morrone Joseph A. Bagchi Sugato Pabon Jan D. Estrada Kang Seung-gu Zhang Leili Cornell Wendy D. 《Journal of computer-aided molecular design》2022,36(5):391-404
Journal of Computer-Aided Molecular Design - We here present a streamlined, explainable graph convolutional neural network (gCNN) architecture for small molecule activity prediction. We first... 相似文献
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