Results 241 to 250 of about 1,337,825 (313)

MS2DECIDE: Aggregating Multiannotated Tandem Mass Spectrometry Data with Decision Theory Enhances Natural Products Prioritization

Chemistry–Methods, EarlyView.
Tandem mass spectrum to decision (MS2DECIDE) leverages decision theory and expert knowledge to aggregate the outputs of three widely used annotation tools (GNPS, Sirius, and ISDB‐LOTUS) and compute a recommendation for targeting natural products with regard to their potential novelty.
Yassine Mejri, Olivier Cailloux, Elvis Otogo N’Nang, Blandine Séon‐Méniel, Jean‐François Gallard, Pierre Le Pogam, Meltem Öztürk‐Escoffier, Mehdi A. Beniddir   +7 more
wiley   +1 more source

Bulk superinsulation and polar nematic orders in nanopatterned NbTiN. [PDF]

Nat Commun
Mironov AY, Trugenberger CA, Diamantini MC, Nasimov DA, Vinokur VM.   +4 more
europepmc   +1 more source

Nonsteroidal Anti‐Inflammatory Drugs and Risk of Gastrointestinal Bleeding: A Systematic Review and Meta‐Analysis

Clinical Pharmacology &Therapeutics, EarlyView.
Nonsteroidal anti‐inflammatory drugs (NSAIDs) are widely used for pain and inflammation but are associated with gastrointestinal (GI) bleeding. While this risk is well established, most studies evaluate NSAIDs as a homogenous class, limiting clinical decision‐making based on individual agent safety.
Abdelrahman G. Tawfik, Ainhoa Gomez‐Lumbreras, Guilherme Del Fiol, Kensaku Kawamoto, Katy E. Trinkley, Thomas Reese, Aubrey Jones, Daniel C. Malone   +7 more
wiley   +1 more source

Investigating heavy quarkonia binding in an anisotropic-dense quark-gluon plasma with topological defects in the framework of fractional non-relativistic quark model. [PDF]

Sci Rep
Abu-Shady M, Fath-Allah HM.
europepmc   +1 more source

Semi‐Automated Pipeline for Transition State Search of Molecular Photoswitches

ChemPhotoChem, EarlyView.
A semi‐automated pipeline for the transition state search of molecular switches (PiTS3) is reported, which facilitates the search, optimization, and conformational analysis of transition states of photochemical switches based on the stilbene, imine, aza‐diarylethene, and norbornadiene structures.
Roman Yu. Peshkov, Jorn D. Steen, Stefano Crespi   +2 more
wiley   +1 more source

The LHCb Sprucing and Analysis Productions. [PDF]

Comput Softw Big Sci
Abdelmotteleb A, Bertolin A, Burr C, Couturier B, Eckstein E, Fazzini D, Grieser N, Haen C, O'Neil R, Rodrigues E, Skidmore N, Smith M, Wiederhold AR, Zhang S.   +13 more
europepmc   +1 more source

The Integration of the Water‐Energy‐Food Nexus Framework Into Corporate Sustainability Strategies: A Systematic Literature Review

Corporate Social Responsibility and Environmental Management, EarlyView.
ABSTRACT The integration of the Water‐Energy‐Food (WEF) Nexus into Corporate Sustainability (CS) offers a more resilient and comprehensive approach to resource management. However, despite growing attention to this topic, its implementation in the corporate context remains underexplored and largely fragmented.
Edoardo Bigolin, Rudy Rossetto, Filippo Corsini, Marco Frey   +3 more
wiley   +1 more source

Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey. [PDF]

J Chem Inf Model
Özçelik R, Brinkmann H, Criscuolo E, Grisoni F.   +3 more
europepmc   +1 more source

Beyond the Surface: A Critical Analysis of Corporate Water Accounting Literature for Sustainable Development

Corporate Social Responsibility and Environmental Management, EarlyView.
ABSTRACT Corporate water accounting (CWA) is gaining relevance as businesses face increasing water‐related risks and accountability demands. Despite its relevance, academic understanding of CWA remains fragmented. Using a systematic literature review, 47 articles from the domains of business and management have been analyzed, employing bibliometric and
Panero Martina, De Bernardi Paola, Marcacci Caterina, Bresciani Stefano   +3 more
wiley   +1 more source