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- Currently displaying 4281 - 4300 of 30086 publications
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
Toxicology Letters
(2021)
350
s124
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
S17
Data-Driven Research for Amorphous Materials: Towards Seamless Utilization of Publication Data in Chemical Sciences
(2021)
(doi: 10.17863/CAM.79174)
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
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)
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
(2021)
(doi: 10.17863/CAM.80344)
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
Toxicology Letters
(2021)
350
S81
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation
Protein Pept Lett
(2021)
28
963
The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings
Toxicology Letters
(2021)
350
s63
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 ed. in English)
(2021)
60
21973
(doi: 10.1002/anie.202108591)
Visible light photocatalysts from low-grade iron ore: the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites
Environmental Science and Pollution Research
(2021)
29
6698
(doi: 10.1007/s11356-021-15972-2)
The Amyloid-β Pathway in Alzheimer’s Disease
Mol Psychiatry
(2021)
26
5481
(doi: 10.1038/s41380-021-01249-0)
Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III–V/Si dual-junctions
APPLIED PHYSICS LETTERS
(2021)
119
083904
(doi: 10.1063/5.0060700)