Results 151 to 160 of about 66,220 (350)

Deep Learning Approach for Predicting Efficiency in Organic Photovoltaics from 2D Molecular Images of D/A Pairs

open access: yesAdvanced Theory and Simulations, EarlyView.
This study highlights the potential of deep learning, particularly Convolutional Neural Networks (CNNs), for predicting the photovoltaic performance of organic solar cells. By leveraging 2D images representing donor/acceptor molecular pairs, the model accurately estimates key performance indicators proving that this image‐based approach offers a fast ...
Khoukha Khoussa   +2 more
wiley   +1 more source

Does more money buy you more happiness? [PDF]

open access: yes
Why do we believe that more money will buy us more happiness (when in fact it does not)? In this paper, we propose a model to explain this puzzle. The model incorporates both adaptation and social comparison.
Baucells, Manel, Sarin, Rakesh K.
core  

First‐Principles Structure–Activity Relationship Insights Into Phenolic Scaffolds: QSAR Modeling and Drug‐Likeness Screening

open access: yesAdvanced Theory and Simulations, EarlyView.
Integrated machine learning framework for phenolic derivatives: classification (toxicity) and regression (logP) models identify top drug‐like compounds. Random Forest outperformed for toxicity, while Linear Regression best predicted logP. A weighted scoring approach prioritized five safe, lipophilicity‐optimized candidates, supporting rational ...
Houria Nacer   +7 more
wiley   +1 more source

The Catalytic Effect of CrO42-, MoO42-, and WO42- on the Hydrolysis of isoPropoxy-methyl-phosphoryl Fluoride (Sarin). [PDF]

open access: bronze, 1958
Lennart Larsson   +5 more
openalex   +1 more source

VDLIN: A Deep Learning‐Based Platform for Methylcobalamin‐Inspired Immunomodulatory Compound Screening

open access: yesAdvanced Science, EarlyView.
Using the convolutional neural network model VDLIN, Co7 is identified as a promising therapeutic candidate. Co7 demonstrates distinct advantages over MCB by effectively balancing anti‐inflammatory and immune‐stimulatory functions, making it a potential novel approach for immune modulation.
Xuefei Guo   +6 more
wiley   +1 more source

Learning to deal with risk: what does reinforcement learning tell us about risk attitudes? [PDF]

open access: yes
People are generally reluctant to accept risk. In particular, people overvalue sure gains, relative to outcomes which are merely probable. At the same time, people are also more willing to accept bets when payoffs involve losses rather than gains.
Albert Burgos
core  

Allosteric Modulation of Pathological Ataxin‐3 Aggregation: A Path to Spinocerebellar Ataxia Type‐3 Therapies

open access: yesAdvanced Science, EarlyView.
This study uncovers a new allosteric site in the Josephin domain of ataxin‐3 targeted by the molecular tweezer CLR01, which modulates protein aggregation, improves synaptic function in neuronal cells, and delays motor dysfunction in animal models.
Alexandra Silva   +28 more
wiley   +1 more source

Molecular Modeling Study of Uncharged Oximes Compared to HI-6 and 2-PAM Inside Human AChE Sarin and VX Conjugates [PDF]

open access: gold, 2020
Felipe Rodrigues de Souza   +6 more
openalex   +1 more source

Reliable AI Platform for Monitoring BCI Caused Brain Injury and Providing Real‐Time Protection

open access: yesAdvanced Science, EarlyView.
BrainGuard enables real‐time and interpretable assessment of brain injury caused by brain computer interface (BCI). Using feature‐based Gaussian process (GP) emulators trained on limited biomechanical data, it efficiently predicts full‐field strain and constructs patient‐specific digital brain twins to support clinical diagnosis and long‐term BCI ...
Chufan He   +3 more
wiley   +1 more source

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