| 1 |
Application of machine learning techniques to the analysis and prediction of drug pharmacokinetics. JOURNAL OF CONTROLLED RELEASE. 2022 |
| 2 |
A decade of machine learning-based predictive models for human pharmacokinetics: Advances and challenges. DRUG DISCOVERY TODAY. 2022 |
| 3 |
Artificial Intelligence in Drug Safety and Metabolism. Methods in molecular biology. 2022 |
| 4 |
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction. MOLECULAR PHARMACEUTICS. 2019 |
| 5 |
Machine Learning in Drug Metabolism Study.CURRENT DRUG METABOLISM. 2022 |
| 6 |
Estimation of drug exposure by machine learning based on simulations from published pharmacokinetic models: The example of tacrolimus. PHARMACOLOGICAL RESEARCH. PHARMACOLOGICAL RESEARCH. 2021 |
| 7 |
Application of Machine Learning Technology in the Prediction of ADME Related Pharmacokinetic Parameters. CURRENT MEDICINAL CHEMISTRY. 2022 |
| 8 |
Machine Learning and Artificial Intelligence in Physiologically Based Pharmacokinetic Modeling. TOXICOLOGICAL SCIENCES. 2022 |
| 9 |
Machine Learning and Pharmacometrics for Prediction of Pharmacokinetic Data: Differences, Similarities and Challenges Illustrated with Rifampicin.PHARMACEUTICS. 2022 |
| 10 |
In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved Accuracy. JOURNAL OF CHEMICAL INFORMATION AND MODELING. 2019 |
| 11 |
A Hybrid Model Associating Population Pharmacokinetics with Machine Learning: A Case Study with Iohexol Clearance Estimation. CLINICAL PHARMACOKINETICS. 2022 |
| 12 |
Prediction of Oral Pharmacokinetics Using a Combination of In Silico Descriptors and In Vitro ADME Properties. MOLECULAR PHARMACEUTICS. 2021 |
| 13 |
Computational methods and tools to predict cytochrome P450 metabolism for drug discovery. CHEMICAL BIOLOGY & DRUG DESIGN. 2019 |
| 14 |
Deep learning prediction of patient response time course from early data via neural-pharmacokinetic/pharmacodynamic modelling. NATURE MACHINE INTELLIGENCE. 2021 |
| 15 |
Long short-term memory recurrent neural network for pharmacokinetic-pharmacodynamic modeling.INTERNATIONAL JOURNAL OF CLINICAL PHARMACOLOGY AND THERAPEUTICS. 2021
|
| 16 |
In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network. JOURNAL OF CHEMINFORMATICS. 2022 |
| 17 |
In silico approaches and tools for the prediction of drug metabolism and fate: A review. COMPUTERS IN BIOLOGY AND MEDICINE. 2019 |
| 18 |
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification.JOURNAL OF CHEMINFORMATICS. 2019高引用 |
| 19 |
The Metabolic Rainbow: Deep Learning Phase I Metabolism in Five Colors. JOURNAL OF CHEMICAL INFORMATION AND MODELING.2020 |
| 20 |
BioTransformer 3.0-a web server for accurately predicting metabolic transformation products.NUCLEIC ACIDS RESEARCH. 2022 |
| 21 |
Prediction of drug metabolites using neural machine translation. CHEMICAL SCIENCE. 2021 |
| 22 |
Predicting enzymatic reactions with a molecular transformer.CHEMICAL SCIENCE. 2021 pdf |
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
| |
|
