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Quantum mechanical molecular 'fingerprints' solve machine learning mystery

Quantum mechanical molecular 'fingerprints' solve machine learning mystery

Novel AI platform accelerates discovery of chemical catalysts for industry

Novel AI platform accelerates discovery of chemical catalysts for industry

LLMs unleash AI's potential for autonomous and explainable materials discovery

LLMs unleash AI's potential for autonomous and explainable materials discovery

Enzyme disables bacterial toxin by cleaving key chemical ring structure

Enzyme disables bacterial toxin by cleaving key chemical ring structure

Low-temperature greenhouse gas conversion: Direct current reveals charge-driven mechanism

Low-temperature greenhouse gas conversion: Direct current reveals charge-driven mechanism

Chemists develop unique tool for studying RNA in live cells

Chemists develop unique tool for studying RNA in live cells

Simulation may illuminate safer cannabinoid drugs

Simulation may illuminate safer cannabinoid drugs

Oxygen scavenger doubles biosensor accuracy for medical and agricultural uses

Oxygen scavenger doubles biosensor accuracy for medical and agricultural uses

New method enables precise fluorine addition to drug-like molecules in one step

New method enables precise fluorine addition to drug-like molecules in one step

A new transfer strategy to boost ultra-thin flexible temperature sensor performance

A new transfer strategy to boost ultra-thin flexible temperature sensor performance

Composite copper oxides show strong, long-lasting antiviral action against tough viruses

Composite copper oxides show strong, long-lasting antiviral action against tough viruses

A new family of barium-based crystals reveals rules for structural changes

A new family of barium-based crystals reveals rules for structural changes

Like living cells, oil-in-water droplets form 'arms' in response to their environment

Like living cells, oil-in-water droplets form 'arms' in response to their environment

Limitations of AI-based material prediction: Crystallographic disorder represents a stumbling block

Limitations of AI-based material prediction: Crystallographic disorder represents a stumbling block

Artificial photosynthesis catalyst converts carbon dioxide into fuel using sunlight

Artificial photosynthesis catalyst converts carbon dioxide into fuel using sunlight

Durable catalyst shields itself for affordable green hydrogen production

Durable catalyst shields itself for affordable green hydrogen production

Decoding the chemistry of life: Maximum entropy reveals how mutations alter enzymes and drive drug resistance

Decoding the chemistry of life: Maximum entropy reveals how mutations alter enzymes and drive drug resistance

Energy-efficient hydrogen: Plant waste and chromium-coated copper catalyst improve electrolysis process

Energy-efficient hydrogen: Plant waste and chromium-coated copper catalyst improve electrolysis process

Cooperative intermolecular interactions regulate supramolecular polymer assembly

Cooperative intermolecular interactions regulate supramolecular polymer assembly

Enhancing machine-learning interatomic potentials for advanced materials modeling

Enhancing machine-learning interatomic potentials for advanced materials modeling