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- Currently displaying 4521 - 4540 of 30389 publications
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
Toxicology Letters
(2021)
350
S81
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TOXICOLOGY LETTERS
(2021)
350
S17
(doi: 10.17863/CAM.79048)
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
TOXICOLOGY LETTERS
(2021)
350
S216
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation.
Protein & Peptide Letters
(2021)
28
963
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
Journal of chemical theory and computation
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)
Modelling the macroeconomics of a 'closing the green finance gap' scenario for an energy transition
Environmental Innovation and Societal Transitions
(2021)
40
536
(doi: 10.1016/j.eist.2021.10.006)
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
(2021)
(doi: 10.17863/CAM.80344)
Data-Driven Research for Amorphous Materials: Towards Seamless Utilization of Publication Data in Chemical Sciences
(2021)
(doi: 10.17863/CAM.79174)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
s17
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
Journal of Volcanology and Geothermal Research
(2021)
417
107295
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
TOXICOLOGY LETTERS
(2021)
350
S49
The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings
Toxicology Letters
(2021)
350
S63
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
Toxicology Letters
(2021)
350
s124
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
Thermodynamics and kinetics of crystallisation in deeply supercooled Stillinger-Weber silicon
(2021)
(doi: 10.48550/arxiv.2108.13749)
Modulating Chalcogen Bonding and Halogen Bonding Sigma‐Hole Donor Atom Potency and Selectivity for Halide Anion Recognition
Angewandte Chemie International Edition
(2021)
60
21973
(doi: 10.1002/anie.202108591)