Results 201 to 210 of about 372,053 (263)

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

Steering semi-flexible molecular diffusion model for structure-based drug design with reinforcement learning. [PDF]

Sci Adv
Zhang X, Qu S, Lu F, Wang J, Tian Z, Gu S, Zhang Y, Knoll A, Gao S, Chen G, Jiang C.   +10 more
europepmc   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Leveraging nationwide epidemiological big data for diabetes modeling and disease surveillance: an innovative approach for advancing public health policy in developing countries. [PDF]

BMC Res Notes
Hayati H, Zahabi RA.
europepmc   +1 more source

Context Awareness and Human–Robot Interaction Optimization for Museum Intelligent Guide Robot

Advanced Intelligent Systems, EarlyView.
This study presents a context‐aware human–robot interaction framework designed for intelligent museum guide robots. The system features a three‐layer architecture—perception, understanding, and behavior execution—that enables adaptive and meaningful interactions with museum visitors.
Anna Zou, Yue Meng, Shijing Tong
wiley   +1 more source

Enhancing pharmacology education through role-play: impact on student attitudes. [PDF]

BMC Med Educ
Tekeş E, Güngör B, Sılan C, Toraman Ç.   +3 more
europepmc   +1 more source

Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

Advanced Intelligent Systems, EarlyView.
This study provides an introduction to Bayesian optimisation targeted for experimentalists. It explains core concepts, surrogate modelling, and acquisition strategies, and addresses common real‐world challenges such as noise, constraints, mixed variables, scalability, and automation.
Chuan He, Martin Singull, T. Jesper Jacobsson   +2 more
wiley   +1 more source

AlphaFold-Guided Semi-Rational Engineering of an (<i>R</i>)-Amine Transaminase for Green Synthesis of Chiral Amines. [PDF]

Biomolecules
Yang X, Tian X, Tang R, Li J, Zhang X, Li T.   +5 more
europepmc   +1 more source

i‐Tac: Inverse Design of 3D‐Printed Tactile Elastomers with Tuneable Optical and Mechanical Properties

Advanced Intelligent Systems, EarlyView.
Inspired by the multi‐tissue architecture of the human fingertip dermis (A), this work introduces a mixture design using three PolyJet materials (AC/TM/GM) to expand the achievable elastomer property space (B). An inverse design pipeline (i‐Tac) is developed to map target optical/mechanical requirements to optimal material compositions (C), enabling ...
Wen Fan, Dandan Zhang
wiley   +1 more source

Rational Engineering of Patchoulene Synthase from <i>Pogostemon cablin</i> for Enhanced Patchoulene Production. [PDF]

Int J Mol Sci
Ma W, Wan X, Yao G, Wang F, Jiang H.
europepmc   +1 more source