Results 81 to 90 of about 250,300 (327)
AI‐Driven Acceleration of Fluorescence Probe Discovery
Advanced Science, EarlyView.We present PROBY, an AI model trained on large‐scale datasets to predict key photophysical properties and accelerate the discovery of target‐specific fluorescent probes. By screening a target‐annotated library, PROBY identifies candidate probes for diverse targets and could guide probe optimization, enabling a range of in vitro and in vivo imaging ...
Xuefeng Jiang +18 more
wiley +1 more source
OP 7.4 – 00012 Series of Jojo. A way to disseminate HIV Cure information in a community language
Journal of Virus Eradication, 2022 J. Nabukenya
doaj +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 +4 more
wiley +1 more source
Application of heterocyclic aldehydes as components in Ugi–Smiles couplings
Beilstein Journal of Organic Chemistry, 2016 Efficient one-pot Ugi–Smiles couplings are reported for the use of furyl-substituted aldehyde components. In the presence of these heterocyclic aldehydes, reactions tolerated variations in amine components and led to either isolated N-arylamide Ugi ...
Katelynn M. Mason +3 more
doaj +1 more source
Multi‐View Biomedical Foundation Models for Molecule‐Target and Property Prediction
Advanced Science, EarlyView.Molecular foundation models can provide accurate predictions for a large set of downstream tasks. We develop MMELON, an approach that integrates pre‐trained graph, image, and text foundation models and validate our multi‐view model on over 120 tasks, including GPCR binding.
Parthasarathy Suryanarayanan +17 more
wiley +1 more source
Digital Chemical EngineeringThe SMILES notation provides a digital way to represent any chemical structure in the form of a string of ASCII characters, therefore, a preferred data medium for machine learning models.
Anup Paul
doaj +1 more source
No smile like another: Adult age differences in identifying emotions that accompany smiles
Frontiers in Psychology, 2014 People smile in various emotional contexts, for example, when they are amused or angry or simply being polite. We investigated whether younger and older adults differ in how well they are able to identify the emotional experiences accompanying smile ...
Michaela eRiediger +5 more
doaj +1 more source
CACLENS: A Multitask Deep Learning System for Enzyme Discovery
Advanced Science, EarlyView.CACLENS, a multimodal and multi‐task deep learning framework integrating cross‐attention, contrastive learning, and customized gate control, enables reaction type classification, EC number prediction, and reaction feasibility assessment. CACLENS accelerates functional enzyme discovery and identifies efficient Zearalenone (ZEN)‐degrading enzymes.
Xilong Yi +5 more
wiley +1 more source
Personality and health as predictors of income decrease in old age: Findings from the longitudinal SMILE study [PDF]
, 2009 D. A. I. Groffen +4 more
openalex +1 more source