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- Currently displaying 3701 - 3720 of 29855 publications
Combating small-molecule aggregation with machine learning
Cell Reports Physical Science
(2021)
2
100573
(doi: 10.1016/j.xcrp.2021.100573)
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities.
Comput Toxicol
(2021)
20
100188
(doi: 10.1016/j.comtox.2021.100188)
Ageing related states of complex network formation in areca nuts
(2021)
Mechanical adaptation of brachiopod shells via hydration-induced structural changes
Nat Commun
(2021)
12
5383
(doi: 10.1038/s41467-021-25613-4)
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
(2021)
(doi: 10.17863/CAM.85023)
On the “Matsubara heating” of overtone intensities and Fermi splittings
J Chem Phys
(2021)
155
104107
(doi: 10.1063/5.0056829)
In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity
Comput Toxicol
(2021)
20
100187
(doi: 10.1016/j.comtox.2021.100187)
Myths of high-throughput experimentation and automation in chemistry
Chem
(2021)
7
2259
(doi: 10.1016/j.chempr.2021.08.012)
The Influence of Chemical and Mineral Compositions on the Parameterization of Immersion Freezing by Volcanic Ash Particles
Journal of Geophysical Research: Atmospheres
(2021)
126
ARTN e2020JD033356
(doi: 10.1029/2020JD033356)
Visible light-mediated radical fluoromethylation via halogen atom transfer activation of fluoroiodomethane.
Chemical Science
(2021)
12
12812
(doi: 10.1039/d1sc04554g)
Impacts of Hydroperoxymethyl Thioformate on the Global Marine Sulfur Budget
ACS Earth and Space Chemistry
(2021)
5
2577
Overcoming Metastable CO2 Adsorption in a Bulky Diamine-Appended Metal–Organic Framework
J Am Chem Soc
(2021)
143
15258
(doi: 10.1021/jacs.1c06434)
Inhibition of Class A β-Lactamase (TEM-1) by Narrow Fractions of Humic Substances
ACS omega
(2021)
6
23873
(doi: 10.1021/acsomega.1c02841)
Truce-Smiles Rearrangements by Strain Release: Harnessing Primary Alkyl Radicals for Metal-Free Arylation
Angew Chem Int Ed Engl
(2021)
60
22219
(doi: 10.1002/anie.202108240)
Minimal Design Principles for Icosahedral Virus Capsids.
ACS nano
(2021)
15
14873
(doi: 10.1021/acsnano.1c04952)
Aggregation Condition–Structure Relationship of Mouse Prion Protein Fibrils
Int J Mol Sci
(2021)
22
9635
(doi: 10.3390/ijms22179635)
Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles
Chemistry
(2021)
27
13725
(doi: 10.1002/chem.202102483)
New Frontiers for Machine Learning in Protein Science.
J Mol Biol
(2021)
433
167232
(doi: 10.1016/j.jmb.2021.167232)
Halogen-Bonding Strapped Porphyrin BODIPY Rotaxanes for Dual Optical and Electrochemical Anion Sensing
Chemistry – A European Journal
(2021)
27
14550
(doi: 10.1002/chem.202102493)