~/aixsci
200 records · all checked

What the AI was for

Property prediction

Predicting a measurable property of an existing object.

85articles
22Structural biology
44Materials & chemistry
19Astronomy

aix-00218

Sparse regression fits crystal force constants to model heat flow and vibrations

property prediction

materials-chemistry · ai-result · npj Computational Materials · 2026

aix-00219

Neural network supplies the sideways flows needed to measure the quiet Sun's magnetic energy

property prediction

astronomy · ai-result · arXiv · 2023

aix-00220

Neural network predicts how titanium alloy grains round off during annealing

property prediction

materials-chemistry · ai-result · Materials · 2023

aix-00221

Neural network measures rotation periods for Kepler's main-sequence stars

property prediction

astronomy · ai-result · arXiv · 2026

aix-00222

Neural networks trained on molecule pairs predict light absorption in stacks of fifty

property predictionsimulation surrogate

materials-chemistry · ai-result · The Journal of Physical Chemistry Letters · 2025

aix-00223

Neural networks weigh cluster X-ray maps to estimate galaxy cluster masses

property prediction

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2023

aix-00216

Neural network models simulate how lead titanate loses its electrical polarisation on heating

simulation surrogateproperty prediction

materials-chemistry · ai-result · Physical review. B./Physical review. B · 2025

aix-00213

Neural networks predict how much ultrasound energy drives magnesia dissolution

property prediction

materials-chemistry · ai-result · ACS Omega · 2023

aix-00254

Neural networks read a fast radio burst's dispersion straight from its spectrum

property prediction

astronomy · ai-result

aix-00210

Language models suggest ingredients and firing temperatures for inorganic materials recipes

candidate generationproperty prediction

materials-chemistry · ai-result · ACS Applied Materials & Interfaces · 2025

aix-00209

Neural network turns Kaguya camera images into global maps of lunar surface chemistry

property prediction

astronomy · ai-result · Nature Communications · 2023

aix-00208

Neural network predicts atomic charges from bond lists, without atomic coordinates

property prediction

materials-chemistry · ai-result · Journal of Chemical Information and Modeling · 2024

aix-00206

Neural network designs five hard metallic glasses, all confirmed by experiment

property predictioncandidate generationsimulation surrogate

materials-chemistry · ai-result · Nature Communications · 2026

aix-00205

Machine learning fitted to flexible molecules predicts oxidation potentials and hydration energies

property prediction

materials-chemistry · ai-result · arXiv · 2025

aix-00159

Machine learning assigns atomic charges to size up polarisation in bismuth vanadate conductors

property predictionsimulation surrogate

materials-chemistry · ai-supporting · Chemistry of Materials · 2022

aix-00158

Structure predictions place an uncharacterised human protein in the BRICHOS family

structure determinationproperty prediction

structural-biology · ai-result · Bioinformatics Advances · 2022

aix-00157

Microscopy and a trained classifier map which E. coli proteins clump together

classificationproperty prediction

structural-biology · ai-result · Scientific Reports · 2022

aix-00155

Neural network predicts crystal density of candidate explosives from molecular structure

property prediction

materials-chemistry · ai-result · Journal of Cheminformatics · 2023

aix-00154

AlphaFold models used to map membrane-crossing segments in human proteins

structure determinationproperty prediction

structural-biology · ai-result · Database · 2023

aix-00150

Deep learning sorts crystal structures for single-molecule magnet behaviour

classificationproperty prediction

materials-chemistry · ai-result · IUCrJ · 2024

aix-00147

Testing whether symmetry-aware neural networks can tell apart atomic arrangements in perovskites

property predictionsimulation surrogate

materials-chemistry · ai-result · arXiv · 2024

aix-00160

Neural networks predict how zeolites take up carbon dioxide from structure alone

property predictionsimulation surrogatecandidate generation

materials-chemistry · ai-result · ACS Applied Materials & Interfaces · 2024

aix-00163

Peptides designed by simulation and machine learning sit at condensate surfaces

simulation surrogateproperty predictioncandidate generationexperimental design

structural-biology · ai-result · Nature Communications · 2026

aix-00169

AlphaFold's confidence scores used to predict which disordered protein segments bind LC8

classificationstructure determinationproperty prediction

structural-biology · ai-result · Frontiers in Molecular Biosciences · 2025

aix-00170

Machine learning predicts strength of PLA plastic filled with boron nitride flakes

property prediction

materials-chemistry · ai-supporting · Polymers · 2026

aix-00172

Machine learning tested against three definitions of protein shape-shifting

classificationproperty prediction

structural-biology · ai-result · Frontiers in Molecular Biosciences · 2022

aix-00146

Machine learning ranks stable materials by predicted superconducting temperature

property prediction

materials-chemistry · ai-result · arXiv · 2024

aix-00139

Robot laser-heats thin films while software picks each next heating condition

experimental designclassificationproperty prediction

materials-chemistry · ai-result · arXiv · 2026

aix-00173

Machine learning predicts nanofibre thickness from electrospinning settings, tested against new scaffolds

property prediction

materials-chemistry · ai-result · Frontiers in Bioengineering and Biotechnology · 2026

aix-00178

Machine learning picked catalyst recipes for a loop of 44 lab cycles

property predictionexperimental design

materials-chemistry · ai-result · Nature Communications · 2023

aix-00133

Regression models predict how graphene loading changes aluminium's electron emission

property prediction

materials-chemistry · ai-result · Scientific Reports · 2025

aix-00132

Five codes measured galaxy shapes in simulated Euclid images, one using neural networks

property predictionsimulation surrogate

astronomy · ai-supporting · Astronomy and Astrophysics · 2022

aix-00131

Machine-learned potential predicts how chromium sulfide layers rearrange during exfoliation

simulation surrogateproperty prediction

materials-chemistry · ai-result · The Journal of Physical Chemistry C · 2024

aix-00179

Neural network predicts protein pair binding strength from simplified molecular models

property predictionclassification

structural-biology · ai-result · Nature Communications · 2024

aix-00180

Teaching protein language models to rank mutants from a few dozen lab measurements

property predictionexperimental design

structural-biology · ai-result · Nature Communications · 2024

aix-00183

Neural network predicts nanostructure optics to design a two-colour laser collimator

property predictionsimulation surrogate

materials-chemistry · ai-result · Nanophotonics · 2023

aix-00186

Language model trained on protein sequences predicts shape and stability of disordered proteins

property predictionsimulation surrogate

structural-biology · ai-result · The Journal of Physical Chemistry B · 2024

aix-00187

Machine-learned force field used to model two crystal forms of formamide

property predictionsimulation surrogate

materials-chemistry · ai-result · Journal of Chemical Theory and Computation · 2023

aix-00191

Neural network stands in for slow spectral modelling to read 64 stars' chemistry

property predictionsimulation surrogate

astronomy · ai-result · Astronomy and Astrophysics · 2025

aix-00129

Neural networks sort supernovae and estimate their distances from brightness alone

classificationproperty predictiondenoising

astronomy · ai-result · arXiv · 2024

aix-00124

Software predictors compare protein floppiness across retinal disease protein sets

property prediction

structural-biology · ai-result · Journal of Proteins and Proteomics · 2025

aix-00123

Neural networks swap places with black hole image simulations, both directions

simulation surrogateproperty prediction

astronomy · ai-result · arXiv · 2023

aix-00117

Deep learning model predicts polymer heat-softening across 48,208 designed candidates

property prediction

materials-chemistry · ai-result · arXiv · 2026

aix-00114

A compact way to describe molecules speeds up machine learning of their properties

property prediction

materials-chemistry · ai-result · arXiv · 2024

aix-00111

Zero-padding lets one neural network encode crystals with differing element counts

candidate generationproperty prediction

materials-chemistry · ai-result · arXiv · 2026

aix-00110

Deep learning trained on robotic peptide mapping predicts where antibody proteins degrade

classificationproperty prediction

structural-biology · ai-result · Antibodies · 2024

aix-00108

Oxidation potentials for 15,238 molecules assembled from quantum calculations and lab measurements

property prediction

materials-chemistry · ai-supporting · Journal of Chemical Information and Modeling · 2025

aix-00103

Neural network predicts yield of chitosan nanoparticles grown with olive leaf extract

property prediction

materials-chemistry · ai-supporting · Scientific Reports · 2023

aix-00101

Simulations map three sodium–bismuth compounds, then models predict their heat-to-electricity performance

property predictionsimulation surrogate

materials-chemistry · ai-supporting · RSC Advances · 2025

aix-00099

Weighing the Milky Way's disk reveals a mass excess along the Local Arm

property prediction

astronomy · ai-result · arXiv · 2024

aix-00097

Neural networks speed up forecasts of what gravitational wave detections LISA will catch

simulation surrogateproperty prediction

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2023

aix-00095

Neural networks estimate dark matter halo masses from a galaxy's neighbours

property prediction

astronomy · ai-result · The Open Journal of Astrophysics · 2023

aix-00090

Machine learning reads planet-forming disk masses from archival ALMA observations

property predictionsimulation surrogate

astronomy · ai-result

aix-00089

Neural networks trained on atomic surroundings score how mutations change proteins

property predictionstructure determination

structural-biology · ai-result · arXiv · 2024

aix-00088

Neural network retrained to predict how crystals absorb light, from few examples

property predictionsimulation surrogate

materials-chemistry · ai-result · Nature Communications · 2025

aix-00084

Neural networks read simulated galaxy cluster catalogues to estimate cosmological parameters

property prediction

astronomy · ai-result · arXiv · 2026

aix-00080

Machine learning sifts three-colour infrared survey data for cold brown dwarfs

classificationproperty prediction

astronomy · ai-result · arXiv · 2024

aix-00077

Neural networks sift 812,118 quasar spectra for hidden gravitational lenses

classificationproperty prediction

astronomy · ai-result · The Astrophysical Journal · 2026

aix-00074

Software predictions map floppy stretches of touch-sensing PIEZO channels

classificationproperty prediction

structural-biology · ai-result · Proteomes · 2026

aix-00071

Simulations map how surface atoms rearrange in alloys when molecules attach

property prediction

materials-chemistry · ai-supporting · The Journal of Physical Chemistry C · 2023

aix-00070

Neural network scores candidate composite microstructures in a strength–toughness design loop

property predictionsimulation surrogatecandidate generation

materials-chemistry · ai-result · Advanced Science · 2026

aix-00069

Neural networks rebuild cosmic expansion history to calibrate gamma-ray burst energies

property prediction

astronomy · ai-result · The European Physical Journal C · 2026

aix-00068

Machine learning predicts marine steel corrosion from seawater conditions and alloy make-up

property predictioncandidate generation

materials-chemistry · ai-result · Materials · 2025

aix-00065

Model predicts how fast an enzyme works on a substrate, with uncertainty attached

property predictionexperimental design

structural-biology · ai-result · Briefings in Bioinformatics · 2025

aix-00063

Adding a term for the unfolded protein sharpens AI stability predictions

property prediction

structural-biology · ai-result · Protein Science · 2025

aix-00058

Deep-learning model designs petrol blends from octane and soot targets

property predictioncandidate generation

materials-chemistry · ai-result · Communications Chemistry · 2022

aix-00056

Deep learning tool predicts how single mutations weaken protein partnerships

property prediction

structural-biology · ai-result · Nucleic Acids Research · 2024

aix-00051

Ultrasound-treated clay bleaches cooking oil, with machine learning picking the settings

property predictionexperimental design

materials-chemistry · ai-supporting · Food Science & Nutrition · 2024

aix-00046

Two neural networks predict how heat shrinks the band gap of silver-based crystals

property predictionsimulation surrogate

materials-chemistry · ai-result

aix-00045

Neural network reads simulated quasar light curves to estimate black hole properties

property predictiondenoising

astronomy · ai-result · The Astrophysical Journal · 2024

aix-00044

Machine-learnt electron densities drive molecular dynamics of a gold–saltwater interface

property predictionsimulation surrogate

materials-chemistry · ai-result · The Journal of Chemical Physics · 2024

aix-00040

Statistical model of 5,441 perovskite solar cells predicts efficiency and suggests recipes

property predictioncandidate generationexperimental design

materials-chemistry · ai-result · Journal of Chemical Information and Modeling · 2026

aix-00035

GPT-4 reads band gap values from paper sentences to train better predictors

literature synthesisclassificationproperty prediction

materials-chemistry · ai-result · arXiv · 2023

aix-00033

Neural network built from physics equations extracts solder deformation coefficients

property prediction

materials-chemistry · ai-result · Materials · 2023

aix-00024

Machine learning picked which engineered enzymes to build for fatty alcohol production

property predictionclassificationexperimental design

structural-biology · ai-result · Nature Communications · 2021

aix-00021

Neural network reads a million star spectra to measure temperature and chemistry

property prediction

astronomy · ai-result · Monthly Notices of the Royal Astronomical Society · 2022

aix-00016

Machine learning picked which shape-memory alloys to make next, round by round

property predictionexperimental design

materials-chemistry · ai-result · Nature Communications · 2016

aix-00015

Transformer model predicts how gas-storing crystals take up gases, replacing slow simulations

property predictionsimulation surrogate

materials-chemistry · ai-result · Nature Communications · 2024

aix-00011

A learning algorithm ran a synchrotron beamline to find a phase-change material

experimental designproperty predictionclassification

materials-chemistry · ai-result · Nature Communications · 2020

aix-00010

Robotic lab with machine learning proposes and runs 353 inorganic synthesis experiments

candidate generationproperty predictionclassificationexperimental design

materials-chemistry · ai-result · Nature · 2023

aix-00009

Gaussian process models pick light-sensitive ion channels that reach mammalian cell membranes

property predictionclassificationexperimental design

structural-biology · ai-result · PLoS Computational Biology · 2017

aix-00007

Neural network predicts protein atom positions from amino acid sequence alone

structure determinationproperty prediction

structural-biology · ai-result · Nature · 2021

aix-00004

Robot lab and learning agent redesign an enzyme to survive higher temperatures

property predictionclassificationexperimental design

structural-biology · ai-result · Nature Chemical Engineering · 2024

aix-00002

Deep learning turns raw NMR spectra into protein structures without human intervention

detectionproperty predictionstructure determination

structural-biology · ai-result · Nature Communications · 2022

aix-00001

Researchers measure folding stability for hundreds of thousands of protein variants

structure determinationcandidate generationproperty predictionclassification

structural-biology · ai-supporting · Nature · 2023