Results 111 to 120 of about 698,955 (287)

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

Medicinal 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

Advancing the culture of peer review with preprints

Preprints enable new forms of peer review that have the potential to be more thorough, inclusive, and collegial. In December 2022, 80 researchers and representatives of funders, institutions, preprint servers, journals, indexers, and review services were
Thomas Lemberger, Stephen J. Royle, Michael M Lacy, Jessica Polka, Ron Vale, Anna Hatch, Daniela Saderi, Clarisse Ganier, Rebecca Lawrence, Maryrose Franko, Samantha Hindle, Bodo Stern, Christopher Steven Marcum, Damian Pattinson, Scott Edmunds, Maria Leptin, Géraldine Clément-Stoneham, Melissa Harrison, Dario Taraborelli, Martyn Rittman, Amy Brand, Mark Williams, Ashley Farley, Sophien Kamoun, Kathryn Funk, Frederique Belliard, John Spiro, Zara Y. Weinberg, Kleber Neves, Gautam Dey, Sara Monaco, Michele Avissar-Whiting, Stefano M Bertozzi, Haley Hazlett, Ludo Waltman, Daniel W Hook, Marcel LaFlamme, Robert Kiley, James Fraser, Catriona MacCallum, Stephanie Dawson, Fiona Watt, Phil Hurst, Claudia Vasquez, Elliott Lumb, Tara D. Fischer, Alex Mendonça, Iratxe Puebla, Richard Sever, Gabriele Marinello, Daniel Ecer, Katherine Brown, Kathleen Shearer   +52 more
core   +1 more source

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

Smart 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

The first year of a new era

eLife
What happened when eLife decided to eliminate accept/reject decisions after peer review?
Timothy E Behrens, Yamini Dalal, Diane M Harper, Detlef Weigel   +3 more
doaj   +1 more source

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

Environmental 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, Jadson Silva Abreu, Rafael Sidônio Gibson Gomes, Hemengella Karyne Alves Oliveira, Artur F. S. Schuh, Ignacio F. Mata, Bruno Lopes Santos‐Lobato   +6 more
wiley   +1 more source

How and why eLife selects papers for peer review

eLife
When deciding which submissions should be peer reviewed, eLife editors consider whether they will be able to find high-quality reviewers, and whether the reviews will be valuable to the scientific community.
eLife Editorial Leadership, eLife Senior Editors, eLife Early Career Advisory Group   +2 more
doaj   +1 more source

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

VIEW, 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, Satish Rojekar, Amol Gholap, K. Navaneetha Pandiyaraj, Mukesh Patekar, Claudia Riccardi, R. R. Deshmukh, Tomáš Kovářík, Kalim Deshmukh   +8 more
wiley   +1 more source

Pickin' up good vibrations: a systematic review of footfall detection and analysis in the realm of wildlife surveying

Wildlife Biology, EarlyView.
Exploration of new wildlife surveying methodologies that leverage advances in sensor technology and machine learning has led to tentative research into the application of seismology techniques. This, most commonly, involves the deployment of a footfall trap – a seismic sensor and data logger customised for wildlife footfall.
Benjamin J. Blackledge, Luigi La Spada, Robert A. Briers, Niamh M. McHugh, Patrick J. C. White   +4 more
wiley   +1 more source

Helical reconstruction of amyloids in cryoSPARC

Acta Crystallographica Section F, EarlyView.
We present practical guidelines for helical reconstruction of amyloid filaments in cryoSPARC, benchmarked against publicly available datasets. Our analysis defines current capabilities and limitations, and outlines optimization strategies to enable high‐throughput structural studies and therapeutic discovery.Amyloid‐mediated proteotoxicity underlies ...
Jan-Hannes Schaefer, Robert T. O'Neill, Joseph P. Donnelly, Evan T. Powers, Jeffery W. Kelly, Gabriel C. Lander   +5 more
wiley   +1 more source

OSF Preprints [Review]

, 2018
OSF Preprints is an open access option for discovering multidisciplinary preprints as well as postprints and working papers. OSF refers to the Open Science Framework which was developed by the Center for Open Science. Key features of this product include
Amy Riegelman
core   +1 more source