Results 171 to 180 of about 393,404 (281)

Consensus Formation and Change are Enhanced by Neutrality

Advanced Science, EarlyView.
Neutral agents are shown to enhance both the formation and overturning of consensus in collective decision‐making. A general mathematical model and experiments with locusts and humans reveal that neutrality enables robust consensus via simple interactions and accelerates consensus change by reducing effective population size.
Andrei Sontag, Janina A. Hoffmann, Tim Rogers, Christian A. Yates   +3 more
wiley   +1 more source

Topological Descriptors of Colorectal Cancer Drugs and Characterizing Physical Properties Via QSPR Analysis. [PDF]

Int J Anal Chem
Nasir S.
europepmc   +1 more source

Machine Learning for Green Solvents: Assessment, Selection and Substitution

Advanced Science, EarlyView.
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta, Janhavi Nistane, Abhishek Sose, Harikrishna Sahu, Rampi Ramprasad   +4 more
wiley   +1 more source

A python approach for prediction of physicochemical properties of anti-arrhythmia drugs using topological descriptors. [PDF]

Sci Rep
Qin H, Rehman M, Hanif MF, Bhatti MY, Siddiqui MK, Fiidow MA.   +5 more
europepmc   +1 more source

Physical Origin of Temperature Induced Activation Energy Switching in Electrically Conductive Cement

Advanced Science, EarlyView.
The temperature‐induced Arrhenius activation energy switching phenomenon of electrical conduction in electrically conductive cement originates from structural degradation within the biphasic ionic‐electronic conduction architecture and shows percolation‐governed characteristics: pore network opening dominates the low‐percolation regime with downward ...
Jiacheng Zhang, Xinyuan Ke, Andrew Heath, Richard J. Ball, Jiawei Xie, Jinchen Fan, Guisheng Li, Kevin Paine   +7 more
wiley   +1 more source

Mathematical study of silicate and oxide networks through Revan topological descriptors for exploring molecular complexity and connectivity. [PDF]

Sci Rep
Zhang Q, Ahmad Z, Ullah A, Hamed YS, Saleem M, Belay MB.   +5 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Predictive analysis of vitiligo treatment drugs using degree and neighborhood degree-based topological descriptors. [PDF]

Sci Rep
Zhang X, Balasubramaniyan D, Chidambaram N, Ravi V.   +3 more
europepmc   +1 more source

Overcoming Artificial Structures in Resolution‐Enhanced Hi‐C Data by Signal Decomposition and Multi‐Scale Attention

Advanced Science, EarlyView.
Deep‐learning‐based signal enhancement is an effective way to recover high‐resolution details from a low‐resolution chromatin contact map. However, due to computational challenges, existing methods commonly divide up the contact map into small patches and create artificial discontinuities at patch boundaries.
Qinyao Li, Kelly Yichen Li, Chiara Nicoletti, Stephen Kwok‐Wing Tsui, Pier Lorenzo Puri, Qin Cao, Kevin Y. Yip   +6 more
wiley   +1 more source

Type‐II Dirac Fermions in Monolayer In2O: Interplay of Magnetotransport, Spin Hall Effect, and Superconductivity

Advanced Science, EarlyView.
First‐principles calculations reveal that monolayer In2O${\rm In}_2{\rm O}$ hosts type‐II Dirac fermions near the Fermi level, which split into Weyl points under spin‐orbit coupling. The material exhibits negative and giant magnetoresistance, a pronounced spin Hall effect, and phonon‐mediated superconductivity at 1.5 K, establishing it as a unique ...
Qing‐Bo Liu, De‐Ming Feng, Wen‐Neng Zhao, Yu‐Yang Zhao, Lun Xiong, Xing‐Yi Tan, Hua‐Hua Fu   +6 more
wiley   +1 more source