Results 181 to 190 of about 84,152 (317)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

DNA fingerprinting.

open access: yes, 2003
This report informs the reader about the importance of DNA fingerprinting and the trials and tribulations of accepting this new forensic science in the courtroom.
Hayden, Matthew Steven   +2 more
core  

Decoupling Intrinsic Molecular Efficacy From Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery

open access: yesAdvanced Science, EarlyView.
This study establishes an interpretable machine learning framework that disentangles the intrinsic molecular efficacy of passivators from experimental platform effects—enabling unbiased, high‐throughput discovery of effective perovskite surface modifiers.
Jing Zhang   +5 more
wiley   +1 more source

DNA FINGERPRINTING

open access: yes, 2012
Within the last two decades, the arrival of new technologies such as DNA fingerprinting and databases, have strongly affected society and our judicial system.
Machlin, Emily S   +2 more
core  

Electric‐Current‐Induced Phase Transformation in Cu6Sn5 Below Its Equilibrium Transition Temperature

open access: yesAdvanced Science, EarlyView.
Electric current induces a monoclinic‐to‐hexagonal phase transformation in Cu6Sn5 at a measured bulk temperature of ∼120°C, below the equilibrium transition temperature. Ex situ synchrotron x‐ray diffraction, TEM, and matched thermal controls show that current stressing promotes the formation of a retained hexagonal η‐phase post‐stress state not ...
Shih‐kang Lin   +3 more
wiley   +1 more source

A Portable and Dual‐Button Microneedle Device Enables Intelligent Multimodal Laser Sensing

open access: yesAdvanced Science, EarlyView.
A portable and dual‐button microneedle device enables rapid interstitial fluid sampling. Coupled with multimodal laser sensing and AI‐assisted data processing, the platform enables simultaneous molecular and elemental analysis for minimally invasive and multiplexed health assessment toward point‐of‐care diagnostics.
Yuanchao Liu   +12 more
wiley   +1 more source

Temperature‐Driven Emission Redistribution of Yb2+ in SrB4O7 Enables Highly Sensitive Optical Thermometry Supported by Multiple Linear Regression

open access: yesAdvanced Science, EarlyView.
A novel optical thermometer exploits the rare UV emission of Yb2+ ions in a SrB4O7 host, enabling highly sensitive, non‐contact temperature measurements from 80 to 420 K. The applied multiple linear regression (MLR) analysis results in a multiple increase in the resulting temperature sensitivity.
Fang Zhao   +6 more
wiley   +1 more source

Diverse intracellular trafficking of insulin analogs by machine learning-based colocalization and diffusion analysis. [PDF]

open access: yesiScience
Bleshøy SV   +5 more
europepmc   +1 more source

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