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- Currently displaying 61 - 80 of 582 publications
A review of biomedical datasets relating to drug discovery: a knowledge graph perspective.
Briefings in bioinformatics
(2022)
23
bbac404
(doi: 10.1093/bib/bbac404)
scRNA-Seq-based drug repurposing targeting idiopathic pulmonary fibrosis (IPF)
(2022)
(doi: 10.1101/2022.09.17.508360)
Using biological and chemical information to improve understanding of drug mechanism of action on the systems-level
(2022)
(doi: 10.17863/CAM.93644)
Using transcriptomic data to detect, understand, and treat injury in the context of drug toxicity and fibrotic disease
(2022)
(doi: 10.17863/CAM.93468)
Using chemical and biological data and AI for predictive safety - fundamental concepts, new readouts, applications, limitations
Toxicology Letters
(2022)
368
S11
(doi: 10.1016/j.toxlet.2022.07.045)
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.
Communications Biology
(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)
Merging Bioactivity Predictions from Cell Morphology and Chemical Fingerprint Models Using Similarity to Training Data
(2022)
(doi: 10.1101/2022.08.11.503624)
Compound Repurposing Using Chemical and Biological Data – On Types of Information and Lessons Learned
Compound Repurposing Using Chemical and Biological Data – On Types of Information and Lessons Learned
(2022)
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 Chem Biol
(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)
Evaluation guidelines for machine learning tools in the chemical sciences
Nature reviews. Chemistry
(2022)
6
428
(doi: 10.1038/s41570-022-00391-9)
A systems genomics approach to uncover patient-specific pathogenic pathways and proteins in ulcerative colitis
Nature Communications
(2022)
13
2299
(doi: 10.1038/s41467-022-29998-8)
Targeting Cell Death Mechanism Specifically in Triple Negative Breast Cancer Cell Lines.
International journal of molecular sciences
(2022)
23
4784
(doi: 10.3390/ijms23094784)
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
