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- Currently displaying 121 - 140 of 582 publications
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
Biol Direct
(2021)
16
6
(doi: 10.1186/s13062-020-00285-0)
Diversity-orientated synthesis of macrocyclic heterocycles using a double S N Ar approach
Organic & biomolecular chemistry
(2021)
19
6274
(doi: 10.1039/d1ob00612f)
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
TOXICOLOGY LETTERS
(2021)
350
S216
Inferring longitudinal cascades of mechanistic events in drug-induced liver injury from transcriptomic and histopathology data using sequential pattern and rule mining
NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY
(2021)
394
S18
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes using novel waveform parameters and a modified random forest algorithm
TOXICOLOGY LETTERS
(2021)
350
S61
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
TOXICOLOGY LETTERS
(2021)
350
S49
Chapter 5. Concepts and Applications of Conformal Prediction in Computational Drug Discovery
(2021)
2021-January
65
(doi: 10.1039/9781788016841-00063)
Opsins and gonadal circadian rhythm in the swordfish (Xiphias gladius) ovary: Their potential roles in puberty and reproductive seasonality
General and comparative endocrinology
(2020)
303
113707
(doi: 10.1016/j.ygcen.2020.113707)
De novo transcriptome assembly, functional annotation and characterization of the Atlantic bluefin tuna (Thunnus thynnus) larval stage.
Marine genomics
(2020)
58
100834
(doi: 10.1016/j.margen.2020.100834)
Systematic Analysis of Protein Targets Associated with Adverse Events of Drugs from Clinical Trials and Postmarketing Reports
Chem Res Toxicol
(2020)
34
365
New Associations Between Drug-Induced Adverse Events in Animal Models and Humans Reveal Novel Candidate Safety Targets
Chemical Research in Toxicology
(2020)
34
438
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet.
Drug Discov Today
(2020)
26
511
(doi: 10.1016/j.drudis.2020.12.009)
Correction to “Using Predicted Bioactivity Profiles to Improve Predictive Modeling”
Journal of Chemical Information and Modeling
(2020)
60
6722
(doi: 10.1021/acs.jcim.0c01327)
5-Phenyl-1,3,4-oxadiazol-2(3<i>H</i>)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
Journal of medicinal chemistry
(2020)
63
12942
(doi: 10.1021/acs.jmedchem.0c01391)
Network integration and modelling of dynamic drug responses at multi-omics levels.
Commun Biol
(2020)
3
573
(doi: 10.1038/s42003-020-01302-8)
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein–Ligand Predictions
J Chem Inf Model
(2020)
60
4546
(doi: 10.1021/acs.jcim.0c00476)
Transcriptomics predicts compound synergy in drug and natural product treated glioblastoma cells
PLoS One
(2020)
15
e0239551
(doi: 10.1371/journal.pone.0239551)
Identification of SARS-CoV-2 induced pathways reveal drug repurposing strategies
(2020)
(doi: 10.1101/2020.08.24.265496)
Changing the HTS Paradigm: AI-Driven Iterative Screening for Hit Finding
Slas Discovery
(2020)
26
257
(doi: 10.1177/2472555220949495)
Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity
J Med Chem
(2020)
63
9464
(doi: 10.1021/acs.jmedchem.0c00660)
