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A beginner's approach to deep learning applied to VS and MD techniques. [PDF]
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Integrating QSAR modelling with reinforcement learning for Syk inhibitor discovery. [PDF]
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Tracking protein kinase targeting advances: integrating QSAR into machine learning for kinase-targeted drug discovery. [PDF]
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Publishing neural networks in drug discovery might compromise training data privacy. [PDF]
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AI/ML methodologies and the future-will they be successful in designing the next generation of new chemical entities? [PDF]
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Protecting your skin: a highly accurate LSTM network integrating conjoint features for predicting chemical-induced skin irritation. [PDF]
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E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays. [PDF]
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Predicting overall survival in glioblastoma patients using machine learning: an analysis of treatment efficacy and patient prognosis. [PDF]
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A data driven predictive viscosity model for the microemulsion phase. [PDF]
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