https://www.selleckchem.com/products/b022.html
Machine learning (ML) enables modeling of quantitative structure-activity relationships (QSAR) and compound potency predictions. Recently, multi-target QSAR models have been gaining increasing attention. Simultaneous compound potency predictions for multiple targets can be carried out using ensembles of independently derived target-based QSAR models or in a more integrated and advanced manner using multi-target deep neural networks (MT-DNNs). Herein, single-target and multi-target ML models were systematically compared on a large scale in
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