Results 191 to 200 of about 3,224,686 (322)
Out-of-distribution evaluation of active learning pipelines for molecular property prediction. [PDF]
Yin T, Gao P, Panapitiya G, Saldanha EG.
europepmc +1 more source
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
From passive to participatory: exploring pharmacy students' experiences and perceptions with active learning. [PDF]
Sletvold H +3 more
europepmc +1 more source
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa +19 more
wiley +1 more source
Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery. [PDF]
Williams HJ +3 more
europepmc +1 more source
Bio‐Inspired Molecular Events in Poly(Ionic Liquids)
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley +1 more source
Sen2GF3Floods: A Benchmark Multi-Source Flood Dataset with Dual-Temporal and Active Learning Annotation. [PDF]
Chen W +5 more
europepmc +1 more source
Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum +5 more
wiley +1 more source

