Results 91 to 100 of about 78,135 (298)
Angewandte Chemie, EarlyView.Metadynamics simulations drive automated reaction exploration of acid‐catalysed drug degradation, generating a network spanning 1720 species and 2471 elementary steps. QM‐based filtering reduces the network to eight candidate pathways for rigorous DFT refinement and microkinetic modelling.
Julius Seumer +5 more
wiley +2 more sources
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 +2 more
wiley +1 more source
Angewandte Chemie, EarlyView.A metal‐ and oxidant‐free electrochemical multicomponent di‐functionalization strategy that rapidly converts 1,1‐disubstituted alkenes into α‐tertiary primary amines with simultaneous installation of bio‐relevant sulfur or selenium motifs was devised for late‐stage functionalization. ABSTRACT Quaternary carbon centers, especially those bearing nitrogen,
Adrija Ghosh +4 more
wiley +2 more sources
Challenges Faced by Students with Special Needs in Primary Education during Online Teaching
Education SciencesThis study investigates the psychological, educational, and technological difficulties faced by primary education students with special needs during online teaching.
Rafail Bachtsis +2 more
doaj +1 more source
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 +9 more
wiley +1 more source
The Journal of Qazvin University of Medical Sciences, 2015 Background: Smile is one of the most important factors determining the attractiveness of a person and has an important role in his mood and influence on others.
B. Ranjbar Omidi +4 more
doaj
Advanced Intelligent Discovery, EarlyView.We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley +1 more source
Solutions for atypical problems in the incisors area: a transdisciplinary challenge
Dental Press Journal of OrthodonticsIntroduction: A significant increase in the number of adults in search of orthodontic treatment has raised a new challenge for orthodontists: the need to interact with other specialties to achieve excellent results, particularly when dealing with smile ...
Márcio Costa Sobral
doaj +1 more source
, 2008 This article features the Healthy Smile Dental Clinic located at Shop 43, Underwood Market Place, 3215 Logan Road, Underwood, Queensland, which was designed by OEWG Architects.
Thomson, Sheona A.
core
Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers
Advanced Intelligent Systems, EarlyView.Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica +38 more
wiley +1 more source