Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 1 - 20 of 509 publications
Using Chemical and Biological Data to Predict Drug Toxicity
– SLAS Discov
(2023)
S2472-5552(22)13714-7
(DOI: 10.1016/j.slasd.2022.12.003)
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes and machine learning
– Toxicol Appl Pharmacol
(2022)
459,
116342
(DOI: 10.1016/j.taap.2022.116342)
Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database
– Regul Toxicol Pharmacol
(2022)
138,
105309
(DOI: 10.1016/j.yrtph.2022.105309)
Statistical analysis of preclinical inter-species concordance of histopathological findings in the eTOX database.
– Regul Toxicol Pharmacol
(2022)
138,
105308
(DOI: 10.1016/j.yrtph.2022.105308)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
– Journal of Cheminformatics
(2022)
14,
68
(DOI: 10.1186/s13321-022-00646-z)
scRNA-Seq-based drug repurposing targeting idiopathic pulmonary fibrosis (IPF)
(2022)
(DOI: 10.1101/2022.09.17.508360)
Using transcriptomic data to detect, understand, and treat injury in the context of drug toxicity and fibrotic disease
(2022)
Identification of potential biomarker candidates of drug-induced vascular injury (DIVI) in rats using gene expression and histopathology data
(2022)
(DOI: 10.1101/2022.08.24.505120)
Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection
– Commun Biol
(2022)
5,
858
(DOI: 10.1038/s42003-022-03763-5)
Monomerization of Homodimeric Trefoil Factor 3 (TFF3) by an Aminonitrile Compound Inhibits TFF3-Dependent Cancer Cell Survival.
– ACS Pharmacology & Translational Science
(2022)
5,
761
(DOI: 10.1021/acsptsci.2c00044)
MAVEN: Compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny
(2022)
(DOI: 10.1101/2022.07.20.500792)
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design
– Journal of chemical information and modeling
(2022)
62,
3486
(DOI: 10.1021/acs.jcim.1c01334)
Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature
– ACS chemical biology
(2022)
17,
1733
PARP inhibition is a modulator of anti-tumor immune response in BRCA-deficient tumors
– OncoImmunology
(2022)
11,
2083755
Deriving time-concordant event cascades from gene expression data: A case study for Drug-Induced Liver Injury (DILI)
– PLoS Computational Biology
(2022)
18,
e1010148
(DOI: 10.1371/journal.pcbi.1010148)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
(2022)
(DOI: 10.26434/chemrxiv-2022-prz2r)
Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure
– Molecular Pharmaceutics
(2022)
19,
1488
Latent Variables Capture Pathway-Level Points of Departure in High-Throughput Toxicogenomic Data.
– Chemical research in toxicology
(2022)
35,
670
dialogi: Utilising NLP with chemical and disease similarities to drive the identification of Drug-Induced Liver Injury literature
(2022)
2022.03.11.483929
(DOI: 10.1101/2022.03.11.483929)
DILIC: An AI based classifier to search for Drug-Induced Liver Injury literature
(2022)
2022.02.12.480184
(DOI: 10.1101/2022.02.12.480184)