AIMC Topic: Dose-Response Relationship, Drug

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Dose reduction and toxicity of lenalidomide-dexamethasone in multiple myeloma: A machine-learning prediction model.

Journal of oncology pharmacy practice : official publication of the International Society of Oncology Pharmacy Practitioners Sep 6, 2023
PURPOSE: Lenalidomide remains an effective drug for multiple myeloma, but it is often associated with adverse events and requires dose adjustments. The objective of this study was to propose a model for predicting whether a patient would require dose...
Humans Machine Learning Retrospective Studies Female Antineoplastic Combined Chemotherapy Protocols Dose-Response Relationship, Drug Dexamethasone Aged Multiple Myeloma Aged, 80 and over Lenalidomide Male Middle Aged
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Automated warfarin dose prediction for Asian, American, and Caucasian populations using a deep neural network.

Computers in biology and medicine Jan 13, 2023
Existing warfarin dose prediction algorithms based on pharmacogenetics and clinical parameters have not been used clinically due to the absence of external validation, lack of assessment for clinical utility, and high risk of bias. Moreover, given th...
Dose-Response Relationship, Drug Anticoagulants Warfarin Vitamin K Epoxide Reductases Humans Algorithms Deep Learning Pharmacogenetics Genotype
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Toxicity, genotoxicity, and carcinogenicity of 2-methylfuran in a 90-day comprehensive toxicity study in gpt delta rats.

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association Aug 13, 2022
2-Methylfuran (2-MF) exists naturally in foods and is used as a flavoring agent. Furan, the core structure of 2-MF, possesses hepatocarcinogenicity in rodents. Accumulation of toxicological information on furan derivatives is needed to elucidate thei...
Rats, Transgenic Placenta Rats Carcinogens Rats, Sprague-Dawley Pregnancy Flavoring Agents DNA Damage Dose-Response Relationship, Drug Glutathione Transferase Alkaline Phosphatase Female Liver Furans Mutagenicity Tests Animals Rats, Inbred F344 Male
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Raster plots machine learning to predict the seizure liability of drugs and to identify drugs.

Scientific reports Feb 10, 2022
In vitro microelectrode array (MEA) assessment using human induced pluripotent stem cell (iPSC)-derived neurons holds promise as a method of seizure and toxicity evaluation. However, there are still issues surrounding the analysis methods used to pre...
Neural Networks, Computer Machine Learning Forecasting Cells, Cultured Female Humans Toxicity Tests Microelectrodes Induced Pluripotent Stem Cells Seizures Pharmaceutical Preparations Liability, Legal Drug-Related Side Effects and Adverse Reactions Adult Male Middle Aged Dose-Response Relationship, Drug
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A computer-aided drug design approach to discover tumour suppressor p53 protein activators for colorectal cancer therapy.

Bioorganic & medicinal chemistry Nov 27, 2021
Colorectal cancer (CRC) is the third most detected cancer and the second foremost cause of cancer deaths in the world. Intervention targeting p53 provides potential therapeutic strategies, but thus far no p53-based therapy has been successfully trans...
Dose-Response Relationship, Drug Cell Survival Drug Screening Assays, Antitumor Structure-Activity Relationship Drug Discovery Antineoplastic Agents Cell Line, Tumor Cell Proliferation Molecular Structure Tumor Suppressor Protein p53 Dihydroergotoxine Humans Machine Learning Colorectal Neoplasms Molecular Docking Simulation
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Application of Deep Neural Network Models in Drug Discovery Programs.

ChemMedChem Oct 18, 2021
In silico driven optimization of compound properties related to pharmacokinetics, pharmacodynamics, and safety is a key requirement in modern drug discovery. Nowadays, large and harmonized datasets allow to implement deep neural networks (DNNs) as a ...
Factor Xa Factor Xa Inhibitors Cytochrome P-450 CYP3A Cytochrome P-450 CYP3A Inhibitors Deep Learning Dose-Response Relationship, Drug Structure-Activity Relationship Molecular Structure Humans Drug Discovery
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CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes.

Bioorganic & medicinal chemistry Aug 28, 2021
The vast majority of approved drugs are metabolized by the five major cytochrome P450 (CYP) isozymes, 1A2, 2C9, 2C19, 2D6 and 3A4. Inhibition of CYP isozymes can cause drug-drug interactions with severe pharmacological and toxicological consequences....
Cytochrome P-450 Enzyme System Cytochrome P-450 Enzyme Inhibitors Humans Structure-Activity Relationship Models, Molecular Molecular Structure Machine Learning Dose-Response Relationship, Drug
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Inter-laboratory automation of the in vitro micronucleus assay using imaging flow cytometry and deep learning.

Archives of toxicology Jul 10, 2021
The in vitro micronucleus assay is a globally significant method for DNA damage quantification used for regulatory compound safety testing in addition to inter-individual monitoring of environmental, lifestyle and occupational factors. However, it re...
Deep Learning Dose-Response Relationship, Drug Cell Line DNA Damage Humans Automation, Laboratory Benzimidazoles Cytokinesis Methyl Methanesulfonate Flow Cytometry Mutagens Carbamates Micronucleus Tests
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Predicting HIV drug resistance using weighted machine learning method at target protein sequence-level.

Molecular diversity Jul 9, 2021
Acquired immune deficiency syndrome (AIDS) is a fatal disease caused by human immunodeficiency virus (HIV). Although 23 different drugs have been available, the treatment of AIDS remains challenging because the virus mutates very quickly which can le...
HIV Amino Acid Sequence Drug Resistance, Viral Viral Proteins Models, Theoretical Support Vector Machine Dose-Response Relationship, Drug Mutation Algorithms Databases, Factual Reproducibility of Results Anti-HIV Agents Humans Machine Learning
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Synthesis, docking, machine learning and antiproliferative activity of the 6-ferrocene/heterocycle-2-aminopyrimidine and 5-ferrocene-1H-Pyrazole derivatives obtained by microwave-assisted Atwal reaction as potential anticancer agents.

Bioorganic & medicinal chemistry letters Jul 2, 2021
A simple and fast methodology under microwave irradiation for the synthesis of 2-aminopyrimidine and pyrazole derivatives using Atwal reaction is reported. After the optimization of the reaction conditions, eight 2-aminolpyrimidines containing ferroc...
Humans Machine Learning Molecular Docking Simulation Antineoplastic Agents Pyrazoles Structure-Activity Relationship Cell Line, Tumor Pyrimidines Molecular Structure Cell Proliferation Metallocenes Ferrous Compounds Dose-Response Relationship, Drug Microwaves Drug Screening Assays, Antitumor
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