Results 161 to 170 of about 90,434 (188)

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Evaluating topological and graph-theoretical approaches to extract complex multimodal brain connectivity patterns in multiple sclerosis. [PDF]

Health Inf Sci Syst
Lozano-Bagén T, Martinez-Heras E, Pontillo G, Solana E, Vivó F, Petracca M, Calvi A, Garrido-Romero S, Solé-Ribalta A, Llufriu S, Prados F, Casas-Roma J.   +11 more
europepmc   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Intelligent decision-making for mine ventilation systems based on graph neural network and deep reinforcement learning fusion. [PDF]

Sci Rep
Zhang K, Yang X, Li H.
europepmc   +1 more source

Unsupervised multimodal deep learning for galaxy morphology taxonomy: integrating ConvNeXtEmbeddings and morphological parameters for scalable survey science. [PDF]

Sci Rep
Selim IM, Farahat AS, Basmsm LH, El-Hameed AMA.   +3 more
europepmc   +1 more source

A Benchmark Set of Bioactive Molecules for Diversity Analysis of Compound Libraries and Combinatorial Chemical Spaces. [PDF]

J Chem Inf Model
Neumann A, Klein R.
europepmc   +1 more source

MLGT: A multimodal graph attention network for virtual screening of anti-Uveitis drugs. [PDF]

PLoS One
Sun Y, Qin Y, Chen W.
europepmc   +1 more source

DGM: deep graph clustering with mincut for analysis of single-cell transcriptomics. [PDF]

BMC Genomics
Liu X, Chen X, Yang W, Yu Y.
europepmc   +1 more source