Results 131 to 140 of about 698,564 (286)

Preprint

open access: yes, 2021
Main preprint ...
openaire   +1 more source

AI‐Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery

open access: yesMedicinal Research Reviews, EarlyView.
ABSTRACT Artificial intelligence (AI) is transforming synthetic chemistry from task‐specific predictors into integrated platforms that unify retrosynthesis, reaction optimization, and closed‐loop robotic automation. This review highlights how AI‐assisted planning and robotic execution shorten cycle times, reduce step counts, and improve route ...
Amit Gangwal, Antonio Lavecchia
wiley   +1 more source

Unlocking n‐alk‐1‐ynes conformers: Quantum “trigger finger” versus “stiff joint” conformations

open access: yesSmart Molecules, EarlyView.
Quantum chemical analysis reveals the unique function of n‐alk‐1‐yne terminus as a Quantum “Trigger Finger,” exhibiting two near‐isoenergetic conformers (Cs ${\mathrm{C}}_{s}$and C1 ${\mathrm{C}}_{1}$) locked by a symmetric high barrier. This contrasts with the lower asymmetric barrier of the conventional asymmetric “Stiff Joint” alkyl chain.
Ioan Bâldea
wiley   +1 more source

Vision language models for bridge inspections: A review of applications in image‐based damage documentation

open access: yesStructural Concrete, EarlyView.
Abstract Automating bridge inspections requires more than detecting individual damage instances. It demands systems capable of describing, contextualizing, and interpreting damage in an inspection‐relevant manner. Conventional computer vision approaches, such as object detection and segmentation, primarily address visual recognition tasks and are ...
Rona Firdes Çelik   +2 more
wiley   +1 more source

O impacto do nível de evidência científica em preprints sobre COVID-19 no seu compartilhamento no Twitter (X) Brasil

open access: yesEncontros Bibli
Objetivo: Este estudo tem como objetivo investigar o nível de evidência científica dos preprints sobre COVID-19 compartilhados no Twitter (X) no Brasil, entre 2020 e junho de 2023 e o impacto desses compartilhamentos no debate público sobre a pandemia ...
Eduardo Santos Rocha   +1 more
doaj   +1 more source

Creating a Masterpiece. The Road to (and Beyond) Woodward and Hoffmann's 1969 Angewandte Chemie Treatise

open access: yesThe Chemical Record, EarlyView.
This publication describes how R. B. Woodward and Roald Hoffmann crafted their masterpiece publications. Illustrations include Woodward's first draft of the famous “Violations There are none. Nor can violations be expected of so fundamental a principle of maximum bonding.” Original but discarded text shows the stepwise paths toward the W‐H masterpieces.
Jeffrey I. Seeman
wiley   +1 more source

The perils of preprints

open access: yesBMJ, 2020
van Schalkwyk, May C I   +4 more
openaire   +2 more sources

Revisiting the Association of Pesticide Exposure and Parkinson's Disease: Systematic Review and Meta‐Analysis

open access: yesEnvironmental Toxicology, EarlyView.
ABSTRACT The association between pesticide exposure and Parkinson's disease (PD) is substantial, but heterogeneity in methodology and lack of categorization according to the type of exposure and pesticide classes in previous meta‐analyses impair the interpretation of data. This study aims to update evidence of the association between pesticide exposure
Pedro Henrique Passos da Silva   +6 more
wiley   +1 more source

Nonthermal plasma approaches for combating implant‐associated infections: A compendious review

open access: yesVIEW, EarlyView.
Implant‐associated infections pose serious clinical challenges. Non‐thermal plasma (NTP) modifications overcome this bottleneck in distinct ways relative to traditional sterilization methods. Gas‐phase plasmas generate highly energetic species, UV radiation and reactive oxygen/nitrogen species (RONS), which alter the implant surface properties.
A. M. Trimukhe   +8 more
wiley   +1 more source

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