Results 241 to 250 of about 989,104 (320)

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

Assessing Random Forest self-reproducibility for optimal short biomarker signature discovery. [PDF]

open access: yesBrief Bioinform
Debit A   +6 more
europepmc   +1 more source

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

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

Genome‐Wide by Lifetime Environment Interaction Studies of Brain Imaging Phenotypes

open access: yesAdvanced Science, EarlyView.
This study explores genome‐wide by lifetime environment interactions on brain imaging phenotypes. Gene‐environment interactions explain more phenotypic variance than main effects, pinpoint regulatory variants, and reveal exposure‐specific biological pathways.
Sijia Wang   +51 more
wiley   +1 more source

Predicting Immunotherapy Outcomes in NSCLC Using RNA and Pathology from Multicenter Clinical Trials

open access: yesAdvanced Science, EarlyView.
LIRA, a machine learning‐based model, is developed using transcriptomic data from 891 NSCLC patients in the OAK and POPLAR cohorts. Its predictive performance is validated in multiple external cohorts. Patients stratified by LIRA‐score exhibit distinct clinical characteristics and tumor microenvironment profiles.
Zhaojun Wang   +32 more
wiley   +1 more source

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