Results 141 to 150 of about 37,367 (244)

Finding Drug Candidate Hits With A Hundred Samples: Ultralow Data Screening With Active Learning

open access: yesChemistryEurope, EarlyView.
Ultra‐low‐data hit discovery becomes practical: starting from randomly selected binders, an active‐learning loop selects only 110 molecules from a 100 k library and have a 100% probability of finding 5 or more top‐1% compounds. Noise tests and alternate libraries confirm robustness, enabling single‐researcher campaigns on smaller budgets.
Jacob M. Nielsen   +6 more
wiley   +1 more source

LMCT‐Driven Iron Photocatalysis: Mechanistic Insights and Synthetic Applications

open access: yesChemistry – A European Journal, EarlyView.
LMCT‐driven iron photocatalysis: This review discusses recent developments in ligand‐to‐metal charge transfer (LMCT)‐driven iron photocatalysis, emphasizing mechanistic insights and diverse synthetic applications. By classifying Fe(III)–L bond homolysis pathways, it highlights iron's potential as a sustainable alternative to precious metals for radical‐
Amrita Chaudhuri   +4 more
wiley   +1 more source

MLPROP – An Interactive Web Interface for Thermophysical Property Prediction with Machine Learning

open access: yesChemie Ingenieur Technik, EarlyView.
MLPROP is an open‐access, web‐based interface for predicting thermophysical properties of pure substances and mixtures by machine learning models. Integrating GRAPPA, UNIFAC 2.0, mod. UNIFAC 2.0, and HANNA, it enables accurate and accessible predictions of vapor pressures, activity coefficients, and vapor‐liquid equilibria without requiring users to ...
Marco Hoffmann   +4 more
wiley   +1 more source

Beauty in a smile: the role of medial orbitofrontal cortex in facial attractiveness [PDF]

open access: green, 2003
John P. O’Doherty   +5 more
openalex   +1 more source

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