[HTML][HTML] Machine learning for perturbational single-cell omics

Y Ji, M Lotfollahi, FA Wolf, FJ Theis - Cell Systems, 2021 - cell.com
Cell biology is fundamentally limited in its ability to collect complete data on cellular
phenotypes and the wide range of responses to perturbation. Areas such as computer vision …

Opportunities and challenges in application of artificial intelligence in pharmacology

M Kumar, TPN Nguyen, J Kaur, TG Singh, D Soni… - Pharmacological …, 2023 - Springer
Artificial intelligence (AI) is a machine science that can mimic human behaviour like
intelligent analysis of data. AI functions with specialized algorithms and integrates with deep …

[HTML][HTML] Hybrid XGBoost model with hyperparameter tuning for prediction of liver disease with better accuracy

S Dalal, EM Onyema, A Malik - World Journal of Gastroenterology, 2022 - ncbi.nlm.nih.gov
BACKGROUND Liver disease indicates any pathology that can harm or destroy the liver or
prevent it from normal functioning. The global community has recently witnessed an …

EDC-predictor: a novel strategy for prediction of endocrine-disrupting chemicals by integrating pharmacological and toxicological profiles

Z Yu, Z Wu, M Zhou, K Cao, W Li, G Liu… - … Science & Technology, 2023 - ACS Publications
Identification of endocrine-disrupting chemicals (EDCs) is crucial in the reduction of human
health risks. However, it is hard to do so because of the complex mechanisms of the EDCs …

Artificial intelligence and machine learning for lead-to-candidate decision-making and beyond

D McNair - Annual review of pharmacology and toxicology, 2023 - annualreviews.org
The use of artificial intelligence (AI) and machine learning (ML) in pharmaceutical research
and development has to date focused on research: target identification; docking-, fragment …

Circulating biomarkers instead of genotyping to establish metabolizer phenotypes

R Tremmel, U Hofmann, M Haag… - Annual Review of …, 2024 - annualreviews.org
Pharmacogenomics (PGx) enables personalized treatment for the prediction of drug
response and to avoid adverse drug reactions. Currently, PGx mainly relies on the genetic …

Training data selection for accuracy and transferability of interatomic potentials

D Montes de Oca Zapiain, MA Wood… - npj Computational …, 2022 - nature.com
Advances in machine learning (ML) have enabled the development of interatomic potentials
that promise the accuracy of first principles methods and the low-cost, parallel efficiency of …

AI for targeted polypharmacology: The next frontier in drug discovery

A Cichońska, B Ravikumar, R Rahman - Current Opinion in Structural …, 2024 - Elsevier
In drug discovery, targeted polypharmacology, ie, targeting multiple molecular targets with a
single drug, is redefining therapeutic design to address complex diseases. Pre-selected …

An extensive survey on the use of supervised machine learning techniques in the past two decades for prediction of drug side effects

P Das, DH Mazumder - Artificial Intelligence Review, 2023 - Springer
Approved drugs for sale must be effective and safe, implying that the drug's advantages
outweigh its known harmful side effects. Side effects (SE) of drugs are one of the common …

GeneWalk identifies relevant gene functions for a biological context using network representation learning

R Ietswaart, BM Gyori, JA Bachman, PK Sorger… - Genome biology, 2021 - Springer
A bottleneck in high-throughput functional genomics experiments is identifying the most
important genes and their relevant functions from a list of gene hits. Gene Ontology (GO) …