Results 181 to 190 of about 18,990 (308)

Compressing Chemistry Reveals Functional Groups. [PDF]

J Chem Inf Model
Sharma R, King RD.
europepmc   +1 more source

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

Advanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary, Nicholas Ballard   +1 more
wiley   +1 more source

Machine learning for smell: ordinal odor strength prediction of molecular perfumery components. [PDF]

RSC Adv
Fichtelmann P, Westermayr J.
europepmc   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

MERS-Mpro Predictor: A Machine Learning-Based Tool for Rapid Screening of Potential MERS-CoV Main Protease Inhibitors. [PDF]

Int J Mol Sci
Ouassaf M, Alhatlani BY.
europepmc   +1 more source

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

Advanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa, Tejs Vegge, Jes Frellsen   +2 more
wiley   +1 more source

Extending homomorphic algorithms for encrypted text comparison. [PDF]

Sci Rep
Seco-Aguirre I, Regueiro C, Bernabé-Rodríguez J, Jacob E.   +3 more
europepmc   +1 more source

Towards Advanced Intelligent and Perceptive Soft Grippers

Advanced Intelligent Systems, EarlyView.
Implementing soft yet strong and intelligent soft grippers request innovative and creative solutions in designing soft bodies and seamlessly integrating actuated systems with hierarchical sensing. This review systematically analyses soft grippers with a deep understanding of core components, from fundamental design principles to actuation and sensing ...
Haneul Kim, Hayeon Shin, Seik Park, Changbeom Shim, Seonggun Joe   +4 more
wiley   +1 more source

A Two‐Stage Characterization Pipeline and Open‐Source Framework for Reproducible Tactile Sensing

Advanced Intelligent Systems, EarlyView.
The same soft tactile sensor returns different numbers when embodied in different robots. This is an Embodiment Gap that no shared framework currently captures transparently. A two‐stage characterization pipeline, paired with a FAIR open‐source digital datasheet, decouples intrinsic sensor behavior from embodiment effects and condenses cross‐laboratory
Matteo Lo Preti, Weng Buxiu, Petr Trunin, Muhammad Sunny Nazeer, Lucia Beccai, Perla Maiolino, Cecilia Laschi   +6 more
wiley   +1 more source

Molecular de-extinction looks to the past to find the molecules of the future. [PDF]

Proc Natl Acad Sci U S A
Adam D.
europepmc   +1 more source