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- Currently displaying 4441 - 4460 of 30289 publications
Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles.
Chemistry (Weinheim an der Bergstrasse, Germany)
(2021)
27
13725
(doi: 10.1002/chem.202102483)
Single-route delaminated clay composites for efficient visible-light photo-mineralization of antibiotic-resistant bacteria and associated genes in water
Applied Catalysis B Environment and Energy
(2021)
292
120143
(doi: 10.1016/j.apcatb.2021.120143)
Assessment of Therapeutic Antibody Developability by Combinations of In Vitro and In Silico Methods
Methods Mol Biol
(2021)
2313
57
(doi: 10.1007/978-1-0716-1450-1_4)
Protein Structure Prediction Using a Maximum Likelihood Formulation of a Recurrent Geometric Network
(2021)
2021.09.03.458873
(doi: 10.1101/2021.09.03.458873)
A fast, low-energy multi-state phase-change artificial synapse based on uniform partial-state transitions
APL Materials
(2021)
9
091103
(doi: 10.1063/5.0056656)
Prediction and identification of synergistic compound combinations against pancreatic cancer cells
iScience
(2021)
24
103080
(doi: 10.1016/j.isci.2021.103080)
Synthesis of a Diverse and Three-Dimensional Fragment Collection and The Development of a Novel Platform for Antibody Dual Functionalisation
(2021)
(doi: 10.17863/CAM.78998)
Opinion: The germicidal effect of ambient air (open-air factor) revisited
Atmospheric Chemistry and Physics
(2021)
21
13011
(doi: 10.5194/acp-21-13011-2021)
Nanoparticle surfactants for kinetically arrested photoactive assemblies to track light-induced electron transfer
Nat Nanotechnol
(2021)
16
1121
(doi: 10.1038/s41565-021-00949-6)
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)
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
The Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
Data-Driven Research for Amorphous Materials: Towards Seamless Utilization of Publication Data in Chemical Sciences
(2021)
(doi: 10.17863/CAM.79174)
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
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
Toxicology Letters
(2021)
350
S124
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
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)
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
J Chem Theory Comput
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)