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Drug Discovery | Medicinal Chemistry Adapting Deep Learning QSPR Models to Specific Drug Discovery Projects. February 19, 2024
Chemistry | Drug Discovery | Machine Learning Explaining compound activity predictions with a substructure-aware loss for graph neural networks. July 25, 2023
Pharmaceutical research Multispecies Machine Learning Predictions of In Vitro Intrinsic Clearance with Uncertainty Quantification Analyses. November 28, 2022
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Chemoinformatics | Drug Discovery Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery. March 19, 2022
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Chemistry | Life Sciences Prediction of Compound Profiling Matrices, Part II: Relative Performance of Multitask Deep Learning and Random Forest Classification on the Basis of Varying Amounts of Training Data. November 14, 2018
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