Adapting language models for fuel property prediction
Tsinghua University researchers developed FuelProp-LM, a language model framework that predicts ten fuel properties from SMILES strings using instruction tuning ...
Tag: QSPR
Molecular Property Cliffs: When Tiny Structural Changes Trigger Massive Property Shifts
A new conceptual analysis argues that property cliffs, abrupt physicochemical property changes triggered by small structural modifications, exist across acidity, ...
Mathematical Graph Theory Ranks Breast Cancer Drugs by Structure and Safety
A new study combines resolving topological indices, ADMET analysis, and MCDM ranking methods to computationally rank fifteen breast cancer drugs, ...
Graph Theory Cracks the Hidden Geometry of Giant Carbon Molecules
Mathematicians have derived exact closed-form topological descriptors for three families of giant benzenoid hydrocarbons, revealing a precise size-dependent hierarchy that ...
New Sum-Connectivity Descriptors Give Molecular Graphs a Sharper Predictive Edge
Researchers have introduced a unified family of sum-connectivity descriptors that reweights classical molecular graph indices and shows systematic gains in ...
Product Connectivity Descriptors Boost Antiviral QSAR and QSPR Prediction
Researchers have introduced a fourteen-member family of product-connectivity molecular descriptors that mitigate the dominance of highly connected substructures in classical ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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