Results 151 to 160 of about 63,648 (277)

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

Privileged structure-based molecular fingerprints for organic electronic materials: towards intuitive machine learning interpretation. [PDF]

J Cheminform
Yang TW, Jo SH, Suh MC.
europepmc   +1 more source

Stabilization of Single Metal Atoms on Graphitic Carbon Nitride: Synthetic Strategies and Emerging Applications

Advanced Science, EarlyView.
This review highlights recent advancements in stabilizing single metal atoms on graphitic carbon nitride emphasizing innovative synthesis strategies and emerging applications in electrocatalysis, photocatalysis and organic transformations, along with key challenges and future perspective. Abstract Emerging as a new frontier in catalysis science, single‐
Wenyao Zhang, Junjie Cui, Zhenjie Yao, Boyuan Zhu, Nithinraj Panangattu Dharmarajan, Ajayan Vinu, Junwu Zhu   +6 more
wiley   +1 more source

Functional fingerprinting for the developing brain using deep metric learning. [PDF]

Imaging Neurosci (Camb)
Xu R, Zhao S, Liu Z, Jin Q, Wang Z, Liu D, Zhao K, Zhong S, Zhang J, Liu Y, Qi T, Wei Y.   +11 more
europepmc   +1 more source

A computational tool for peptide mass fingerprinting

, 2013
Protein identification using Mass Spectrometry (MS) is essential in the study of proteomics. Two popular techniques are used in the identification: Tandem Mass Spectrometry (MS/MS) and Peptide Mass Fingerprinting (PMF), which is considered in this work. PMF is widely used in the proteomics field.
openaire   +1 more source

High‐Content SRS Imaging Unveils Altered Cholesterol Metabolism in Ovarian Cancers Under CAR‐T Treatment

Advanced Science, EarlyView.
High‐content Stimulated Raman Scattering (SRS) Imaging reveals that ovarian cancer cells surviving Chimeric Antigen Receptor (CAR) ‐T cell challenge exhibit increased cholesterol esterification. Pharmacological inhibition of this pathway with Avasimibe significantly enhances CAR‐T induced killing of ovarian cancer cells by reducing cancer cell ...
Chinmayee V. Prabhu Dessai, Zhuoying Huang, Haonan Lin, Guangrui Ding, Hongjian He, Menna Siddiqui, Meng Zhang, Wilson Wong, Ji‐Xin Cheng   +8 more
wiley   +1 more source

Robust Magnetic Fingerprint Positioning in Complex Indoor Environments Using Res-T-LSTM. [PDF]

Sensors (Basel)
Guo K.
europepmc   +1 more source

Noise Fingerprints as a Quantitative Order Parameter for Polarization‐ and Defect‐Mediated Switching in Hafnia Ferroelectrics

Advanced Science, EarlyView.
Low‐frequency noise fingerprints in hafnia ferroelectrics provide a quantitative handle to resolve the long‐standing debate between polarization‐mediated and defect‐mediated switching. By tuning oxygen vacancy density via ALD O3 dose time and applying a physically constrained deconvolution, we extract bias‐resolved current fractions for both mechanisms
Ryun‐Han Koo, Jiseong Im, Joon Hwang, Sung‐Ho Park, Jonghyun Ko, Kangwook Choi, Sangwoo Ryu, Gyuweon Jung, Jong‐Ho Lee   +8 more
wiley   +1 more source

HyperPhS: a pharmacophore-guided multimodal representation framework for metabolic stability prediction through contrastive hypergraph learning. [PDF]

Bioinformatics
Liu X, Zhang N, Kang C, Ai C, Yang H, Tang J, Guo F.   +6 more
europepmc   +1 more source

Multimodal Cross‐Attentive Graph‐Based Framework for Predicting In Vivo Endocrine Disruptors

Advanced Science, EarlyView.
A multimodal cross‐attentive graph neural network integrates molecular graphs with androgen and estrogen adverse outcome pathway (AOP)–anchored in vitro assay signals to predict in vivo endocrine disruption. By fusing information on Tier‐1 AOP logits with chemical structures, the framework achieves high accuracy and provides assay‐traceable ...
Eder Soares de Almeida Santos, Gustavo Felizardo Santos Sandes, Artur Christian Garcia da Silva, Holli‐Joi Martin, Eugene N. Muratov, Rodolpho de Campos Braga, Bruno Junior Neves   +6 more
wiley   +1 more source