Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 4681 - 4700 of 30616 publications
Author(s)
Publication title
Journal Name
Publication year
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
S Seal, MA Trapotsi, JC Puigvert, H Yang, O Spjuth, A Bender
Toxicology Letters
(2021)
350
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
W Dobrautz, O Weser, NA Bogdanov, A Alavi, G Li Manni
Journal of chemical theory and computation
(2021)
17
Enantioselective synthesis of ammonium cations
MP Walsh, JM Phelps, ME Lennon, DS Yufit, MO Kitching
Nature
(2021)
597
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
A Bender
TOXICOLOGY LETTERS
(2021)
350
Data-Driven Research for Amorphous Materials: Towards Seamless Utilization of Publication Data in Chemical Sciences
J Mavracic
(2021)
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
AD Keith
(2021)
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
D Basili, B Chambers, M Liddell, J Houghton, A White, I Shah, A Middleton, A Bender
TOXICOLOGY LETTERS
(2021)
350
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
M Evans, C Andersen, S Dwaraknath, M Scheidgen, Á Fekete, D Winston
The Journal of Open Source Software
(2021)
6
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
TJ Aubry, S Engwell, C Bonadonna, G Carazzo, S Scollo, AR Van Eaton, IA Taylor, D Jessop, J Eychenne, M Gouhier, LG Mastin, KL Wallace, S Biass, M Bursik, RG Grainger, AM Jellinek, A Schmidt
Journal of Volcanology and Geothermal Research
(2021)
417
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelžinytė, JM Goodman, PJ Russell, P Kukic, S Gutsell
Toxicology Letters
(2021)
350
Thermodynamic Characterisation of Amyloid Fibrils
KL Callaghan
(2021)
Modelling the macroeconomics of a ‘closing the green finance gap’ scenario for an energy transition
S Hafner, A Jones, A Anger-Kraavi, I Monasterolo
Environmental Innovation and Societal Transitions
(2021)
40
Small Molecule Approaches Towards Targeted RNA degradation
S Mikutis
(2021)
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation
A Oakes, K Menefee, A Lamba, LM Palato, DJ Rinauro, A Tun, B Jauregui, K Chang, LA Nogaj, DA Moffet
Protein Pept Lett
(2021)
28
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
A Liu, N Han, J Munoz-Muriedas, A Bender
Toxicology Letters
(2021)
350
The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings
PSR Wright, KA Briggs, R Thomas, GF Smith, G Maglennon, P Mikulskis, M Chapman, N Greene, A Bender
Toxicology Letters
(2021)
350
Kinetics of Disordered Proteins and their Interactions
T Lohr
(2021)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelzinyte, JM Goodman, PJ Russell, P Kukic, S Gutsell
TOXICOLOGY LETTERS
(2021)
350
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes using novel waveform parameters and a modified random forest algorithm
H Yang, O Obrezanova, A Pointon, W Stebbeds, J Francis, KA Beattie, P Clements, JS Harvey, GF Smith, A Bender
TOXICOLOGY LETTERS
(2021)
350
Modulating Chalcogen Bonding and Halogen Bonding Sigma-Hole Donor Atom Potency and Selectivity for Halide Anion Recognition.
A Docker, CH Guthrie, H Kuhn, PD Beer
Angew Chem Int Ed Engl
(2021)
60