Results 131 to 140 of about 5,104,248 (380)

TargetGen‐RNN model discovers novel antibiotic compound targeting drug‐resistant Staphylococcus aureus

open access: yesInterdisciplinary Medicine, EarlyView.
TargetGen‐recurrent neural network (RNN), an advanced generative model, generated 28,708 unique and novel compounds, identifying SAK‐2970 as a potent antibiotic against drug‐resistant Staphylococcus aureus. Exhibiting strong biofilm inhibition, high therapeutic efficacy, and minimal systemic toxicity in vivo, SAK‐2970 highlights its safety and clinical
Shakeel Ahmad Khan   +2 more
wiley   +1 more source

Benchmarking Large Language Models for Polymer Property Predictions

open access: yesMacromolecular Rapid Communications, EarlyView.
Large language models (LLMs) are fine‐tuned on polymer thermal property datasets to directly predict glass transition, melting, and decomposition temperatures from SMILES inputs. Compared to state‐of‐the‐art models such as Polymer Genome, polyGNN, and polyBERT, LLMs achieve competitive yet lower accuracy.
Sonakshi Gupta   +3 more
wiley   +1 more source

Syntactic approach to electric mobility in metropolitian areas: NE 1 district core, segment map [PDF]

open access: yes, 2013
Capturing vehicular travel behavior is one of the most popular models that deal with relevant aspects of urban regions and communities. Since 1960s, it has been matured and evolved to cover all aspects of travel demand applications.
Dalton, Ruth, Elbanhawy, Eiman
core   +1 more source

The Syntax of City Space

open access: yes, 2018
Many people see American cities as a radical departure in the history of town planning because of their planned nature based on the geometrical division of the land. However, other cities of the world also began as planned towns with geometric layouts so American cities are not unique.
Major M.D., Dalton R.C.
openaire   +3 more sources

Challenges and Opportunities in Machine Learning for Light‐Emitting Polymers

open access: yesMacromolecular Rapid Communications, EarlyView.
The performance of light‐emitting polymers emerges from coupled effects of chemical diversity, morphology, and exciton dynamics across multiple length scales. This Perspective reviews recent design strategies and experimental challenges, and discusses how machine learning can unify descriptors, data, and modeling approaches to efficiently navigate ...
Tian Tian, Yinyin Bao
wiley   +1 more source

Unfolding the dynamical structure of Lisbon's public space: space syntax and micromobility data. [PDF]

open access: yesAppl Netw Sci, 2021
Freire de Almeida H   +3 more
europepmc   +1 more source

TopoMAS: Large Language Model Driven Topological Materials Multi‐Agent System

open access: yesMaterials Genome Engineering Advances, EarlyView.
TopoMAS is an interactive multi‐agent framework that revolutionizes topological materials discovery through human–AI collaborative intelligence. The system integrates natural language processing, knowledge retrieval from literature and databases, crystal structure generation, and automated first‐principles calculations within a unified workflow.
Baohua Zhang   +5 more
wiley   +1 more source

Understanding smallholder decision‐making to increase farm tree diversity: Enablers and barriers for forest landscape restoration in Western Kenya

open access: yesPeople and Nature, EarlyView.
Abstract Integrating diverse trees and shrubs (hereafter ‘trees’) in agricultural landscapes has emerged as a crucial nature‐based solution to the triple challenge of biodiversity loss, climate change and food security. The potential benefits of on‐farm trees for both people and nature, however, are often constrained by inadequate consideration of ...
Ennia Bosshard   +6 more
wiley   +1 more source

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