Results 141 to 150 of about 40,087 (250)

QGeoSEP: A Novel Multi‐Task Learning Framework Integrating Quantum, Geometric, and Semantic Features for Collaborative Prediction of Multiple Properties With Potential Application to Energetic Materials

open access: yesMaterials Genome Engineering Advances, EarlyView.
We introduce QGeoSEP, a multi‐task learning framework for accurate energetic material property prediction, with competitive performance against mainstream baselines and an accessible online tool for efficient molecular evaluation. ABSTRACT Accurate physicochemical property prediction is critical for the rational design of energetic materials (EMs), yet
Mingchi Gao   +6 more
wiley   +1 more source

Stereochemical Terminology in Chiral Drugs: Still Between Confusion and Misinterpretation. [PDF]

open access: yesACS Med Chem Lett
García de la Concepción J   +2 more
europepmc   +1 more source

Pulse Programme Considerations for Quantitative NOE Analysis

open access: yesMagnetic Resonance in Chemistry, EarlyView.
NOESY and ROESY spectra are frequently used to obtain interatomic distances in solution. Here, the performance of six routinely used pulse programmes is evaluated, with the number of quantified correlations and the accuracy of the NOE‐based distances being used as the main assessment criteria. ABSTRACT Accurate NOE/ROE‐based distance determination is a
Lianne H. E. Wieske   +2 more
wiley   +1 more source

Diverse reactivity of maleimides in polymer science and beyond

open access: yesPolymer International, Volume 74, Issue 4, Page 296-306, April 2025.
This mini‐review provides a thorough overview of maleimide chemistry, highlighting its diverse reactivity in polymer and materials science applications. Abstract Maleimides are remarkably versatile functional groups, capable of participating in homo‐ and copolymerizations, Diels–Alder and (photo)cycloadditions, Michael additions, and other reactions ...
Bruce E Kirkpatrick   +2 more
wiley   +1 more source

Stability studies of cynaropicrin–major sesquiterpene lactone of Cynara cardunculus leaves

open access: yesPest Management Science, EarlyView.
This study investigated its stability under high temperature and pH, mimicking agronomic extremes and under soil context. Bioassays demonstrated that degradation products exhibited higher phytotoxic activity than cynaropicrin and deacylcynaropicrin. This is the first study about cynaropicrin's stability, characterizing degradation products, and their ...
Daniela Rosa   +6 more
wiley   +1 more source

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