Sustainable synthesis of quinazolinones: exploring multicomponent reactions with a novel magnetic palladium catalyst. [PDF]
Liang X, Yang Z, Li B.
europepmc +1 more source
Framework for evaluating explainable AI in antimicrobial drug discovery. [PDF]
Onawole AT, Blaskovich MAT, Zuegg J.
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Szeged Index: Formulas For Fused Bicyclic Graphs
The Szeged index (Sz) is a variant of the well known Wiener index W. It has been shown that Sz(B#) is a third order polynomial in terms of the sizes of three chains making up a fused bicyclic graph Bjy. Analytical formulas have been derived for Sz(B^)
István Lukovits, Lukovits, István
core
Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue. [PDF]
Schwer M +6 more
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In this paper, we consider decompositions of the complete graph on v vertices into 4-cycles with a pendant edge. In part, we will consider decompositions which admit automorphisms consisting of: (1) a single cycle of length v, (2) f fixed points and a ...
Cantrell, Daniel Shelton
core
Dickkopf 2 serves as a novel therapeutic target and prognostic biomarker in acute myeloid leukemia targeted by evodiamine. [PDF]
Li R, Jiang W, Sun X, Su YH.
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Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints. [PDF]
Lübbers J +4 more
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Degree-based function index of graphs with given bipartition and small cyclomatic number [PDF]
Tomáš Vetrík, Pawaton Kaemawichanurat
doaj +1 more source
High-throughput electronic property prediction of cyclic molecules with 3D-enhanced machine learning. [PDF]
Zheng P, Isayev O.
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