Results 201 to 210 of about 12,007,006 (285)

Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms. [PDF]

Chem Rev
Chawla NV, González-Montiel GA, Guo K, Guo T, Hua T, Huang X, Inae E, Jiang M, Le K, Liu G, Maier JC, Moniz N, Nogueira B, Pan D, Piguave BV, Savoie BM, Schofield AB, Shen Y, Taylor A, Zhang X, Zhu Y, Wiest O.   +21 more
europepmc   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Lévy Formulation of the Stochastic Theory of Chromatography and Extension to Phase-Type Markov Renewal Process. [PDF]

Anal Chem
Mirzahosseini A, Sepsey A, Tóth G, Felinger A.   +3 more
europepmc   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

The Reaction Kinetics of Heavy Oil Combustion and Oxidation: Transition from Diffusion Limitation to Chemical Reaction Control. [PDF]

ACS Omega
Zhao F, Sun M, Zhang H, Yang Z, Wang J, Liu Q.   +5 more
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

Deep Learning for Dynamic Prognostic Prediction in Minimally Invasive Surgery for Intracerebral Hemorrhage: Model Development and Validation Study. [PDF]

JMIR Med Inform
Wang J, Shi J, Ye Q, Chen D, Sun Y, Pan C, Tang Y, Zhang P, Tang Z.   +8 more
europepmc   +1 more source

Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science

Advanced Intelligent Discovery, EarlyView.
Artificial intelligence is redefining network pharmacology (NP). By integrating knowledge graph engineering, geometric deep learning, multiomics anchoring, and generative reasoning, AI‐driven NP (AI‐NP) transforms static target mapping into dynamic, predictive modeling.
Cong Wang, Sile Hu, Rigahai Ji, Riguna A, Siqige Hao, Ma Zhuo, Yi‐Hung Chen, Bisihalatu Hu, Ulana Bai, Xigui Hada   +9 more
wiley   +1 more source

The multistep pathogenic hypothesis of amyotrophic lateral sclerosis is incompatible with the epidemiological data. [PDF]

Eur J Epidemiol
Foffani G, Urso D, Hiller J, Piccininni M, Marin B, Logroscino G.   +5 more
europepmc   +1 more source

Robot‐Assisted Measurement of the Critical Micelle Concentration

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The study introduces (SIMO) smart integrator for manual operations, a robotic platform for precise, repeatable determination of (CMC) critical micelle concentration in surfactants. SIMO reduces standard deviation by 80% compared to manual methods. Surfactant, dye, and diluent selection, robotic protocols, and data handling are detailed.
Vincenzo Scamarcio, Gadi Slor, Josie Hughes, Francesco Stellacci   +3 more
wiley   +1 more source