Predicting drug-induced liver injury using ensemble learning methods and molecular fingerprints
Drug-induced liver injury (DILI) is a major safety concern in the drug-development process,
and various methods have been proposed to predict the hepatotoxicity of compounds during …
and various methods have been proposed to predict the hepatotoxicity of compounds during …
[HTML][HTML] Prediction models for drug-induced hepatotoxicity by using weighted molecular fingerprints
Background Drug-induced liver injury (DILI) is a critical issue in drug development because
DILI causes failures in clinical trials and the withdrawal of approved drugs from the market …
DILI causes failures in clinical trials and the withdrawal of approved drugs from the market …
[HTML][HTML] In silico prediction of drug-induced liver injury based on ensemble classifier method
Drug-induced liver injury (DILI) is a major factor in the development of drugs and the safety
of drugs. If the DILI cannot be effectively predicted during the development of the drug, it will …
of drugs. If the DILI cannot be effectively predicted during the development of the drug, it will …
Comparing machine learning algorithms for predicting drug-induced liver injury (DILI)
Drug-induced liver injury (DILI) is one the most unpredictable adverse reactions to
xenobiotics in humans and the leading cause of postmarketing withdrawals of approved …
xenobiotics in humans and the leading cause of postmarketing withdrawals of approved …
AI/ML models to predict the severity of drug-induced liver injury for small molecules
M Rao, V Nassiri, C Alhambra, J Snoeys… - Chemical Research …, 2023 - ACS Publications
Drug-induced liver injury (DILI), believed to be a multifactorial toxicity, has been a leading
cause of attrition of small molecules during discovery, clinical development, and …
cause of attrition of small molecules during discovery, clinical development, and …
Predicting drug-induced liver injury using convolutional neural network and molecular fingerprint-embedded features
As a critical issue in drug development and postmarketing safety surveillance, drug-induced
liver injury (DILI) leads to failures in clinical trials as well as retractions of on-market …
liver injury (DILI) leads to failures in clinical trials as well as retractions of on-market …
[HTML][HTML] Development of decision forest models for prediction of drug-induced liver injury in humans using a large set of FDA-approved drugs
Drug-induced liver injury (DILI) presents a significant challenge to drug development and
regulatory science. The FDA's Liver Toxicity Knowledge Base (LTKB) evaluated> 1000 …
regulatory science. The FDA's Liver Toxicity Knowledge Base (LTKB) evaluated> 1000 …
Chemistry-based modeling on phenotype-based drug-induced liver injury annotation: from public to proprietary data
M Moein, M Heinonen, N Mesens… - Chemical Research …, 2023 - ACS Publications
Drug-induced liver injury (DILI) is an important safety concern and a major reason to remove
a drug from the market. Advancements in recent machine learning methods have led to a …
a drug from the market. Advancements in recent machine learning methods have led to a …
A predictive ligand-based Bayesian model for human drug-induced liver injury
S Ekins, AJ Williams, JJ Xu - Drug Metabolism and Disposition, 2010 - ASPET
Drug-induced liver injury (DILI) is one of the most important reasons for drug development
failure at both preapproval and postapproval stages. There has been increased interest in …
failure at both preapproval and postapproval stages. There has been increased interest in …
[HTML][HTML] Predicting drug-induced liver injury: The importance of data curation
Drug-induced liver injury (DILI) is a major issue for both patients and pharmaceutical
industry due to insufficient means of prevention/prediction. In the current work we present a …
industry due to insufficient means of prevention/prediction. In the current work we present a …