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Digital Discovery
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April 19, 2024
Extended similarity methods for efficient data mining in imaging mass spectrometry
Nicholas R Ellin, Yingchan Guo, Ramón Alain Miranda-Quintana, et al.
Digital Discovery
|
April 19, 2024
Predicting small molecules solubility on endpoint devices using deep ensemble neural networks
Mayk Caldas Ramos, Andrew D White
Digital Discovery
|
August 21, 2025
Correction: Atomate2: modular workflows for materials science
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, et al.
Digital Discovery
|
August 25, 2025
Development of synthetic chloride transporters using high-throughput screening and machine learning
Surid Mohammad Chowdhury, Nada J Daood, Katherine R Lewis, et al.
Digital Discovery
|
August 29, 2025
Accelerating optimization of halide perovskites: two blueprints for automation
Hilal Aybike Can, Daniel Anthony Jacobs, Nicolas Fürst, et al.
Digital Discovery
|
September 12, 2022
Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design
AkshatKumar Nigam, Robert Pollice, Alán Aspuru-Guzik
Digital Discovery
|
February 12, 2026
A simple compound prioritization method for drug discovery considering multi-target binding
Alžbeta Kubincová, David L Mobley
Digital Discovery
|
October 27, 2025
ELECTRUM: an electron configuration-based universal metal fingerprint for transition metal compounds
Markus Orsi, Angelo Frei
Digital Discovery
|
October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A Gierczak, et al.
Digital Discovery
|
July 9, 2025
An automated photo-isomerisation and kinetics characterisation system for molecular photoswitches
Jacob Lynge Elholm, Paulius Baronas, Paul A Gueben, et al.
Page
of 14
Search research articles
Search
Showing results (1-10 of 131) with videos related to
Sort By:
Page
of 14
Digital Discovery
|
April 19, 2024
Extended similarity methods for efficient data mining in imaging mass spectrometry
Nicholas R Ellin, Yingchan Guo, Ramón Alain Miranda-Quintana, et al.
Digital Discovery
|
April 19, 2024
Predicting small molecules solubility on endpoint devices using deep ensemble neural networks
Mayk Caldas Ramos, Andrew D White
Digital Discovery
|
August 21, 2025
Correction: Atomate2: modular workflows for materials science
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, et al.
Digital Discovery
|
August 25, 2025
Development of synthetic chloride transporters using high-throughput screening and machine learning
Surid Mohammad Chowdhury, Nada J Daood, Katherine R Lewis, et al.
Digital Discovery
|
August 29, 2025
Accelerating optimization of halide perovskites: two blueprints for automation
Hilal Aybike Can, Daniel Anthony Jacobs, Nicolas Fürst, et al.
Digital Discovery
|
September 12, 2022
Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design
AkshatKumar Nigam, Robert Pollice, Alán Aspuru-Guzik
Digital Discovery
|
February 12, 2026
A simple compound prioritization method for drug discovery considering multi-target binding
Alžbeta Kubincová, David L Mobley
Digital Discovery
|
October 27, 2025
ELECTRUM: an electron configuration-based universal metal fingerprint for transition metal compounds
Markus Orsi, Angelo Frei
Digital Discovery
|
October 23, 2025
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
Chiheb Ben Mahmoud, Zakariya El-Machachi, Krystian A Gierczak, et al.
Digital Discovery
|
July 9, 2025
An automated photo-isomerisation and kinetics characterisation system for molecular photoswitches
Jacob Lynge Elholm, Paulius Baronas, Paul A Gueben, et al.
Page
of 14