Isothiocyanate-mediated cyclization of phage-displayed peptides enables discovery of macrocyclic binders. [PDF]
Bai L +11 more
europepmc +1 more source
Machine Learning for Synthetic Organic Chemistry: Methods, Applications, and Best Practices
Artificial intelligence (AI) and machine learning (ML) are increasingly reshaping experimental chemistry. This review maps the challenges of synthetic organic chemistry to modern digital tools that can help address them. While focusing on the practical application of ML tools in real‐world laboratory settings, we outline prerequisites, emerging ...
Niklas Hölter +3 more
wiley +1 more source
Synthesis and sorption performance of imidazole-based hydrogels for selective palladium recovery in green hydrometallurgical processes. [PDF]
Alrashdi S +5 more
europepmc +1 more source
Integrated evaluation of Achillea biserrata extracts combining LC‐MS/MS phytochemical profiling, antioxidant, enzyme inhibitory, and antiproliferative assays with multivariate chemometric analyses (Pearson correlation, PCA, hierarchical clustering, and PLS regression), revealing phytochemicals associated with the observed biological activities (The ...
Zühal Bayrakçeken Güven +2 more
wiley +1 more source
Processing-induced hydrolysis and degradation pathways of glucotropaeolin in edible garden nasturtium (<i>Tropaeolum majus L.</i>) extracts. [PDF]
Chocholoušová Havlíková L +5 more
europepmc +1 more source
Novel pyridine derivative platinum complexes were prepared as new agents with potential for use in onco‐medicine. These complexes showed significant activity against human lung cancer cells (A549). The molecular docking data indicated that the 2ITO protein of the lung cancer cell interact with the complexes. ABSTRACT Novel pyridine derivative platinium
Emine Kutlu +5 more
wiley +1 more source
Thiourea-formaldehyde-Functionalized Graphene Oxide for the Selective Removal of Copper from Multielement Solution. [PDF]
Ferreira N +5 more
europepmc +1 more source
Excited‐State Antiaromaticity Relief‐Guided Discovery of 7‐Hydroxycoumarins as Photoacid Catalysts
DFT and NICS studies are presented, in order to elucidate the relation of photoacidity with antiaromaticity relief of the excited state of 4‐substituted umbelliferone derivatives, leading to the experimentally optimum selection of photoacid catalysts for the acetalization reaction.
E. Alexandros Routsi +5 more
wiley +1 more source
Probe and Assay Dependent Pharmacology of Dantrolene Analogues at the GPR35. [PDF]
Zhao Y +5 more
europepmc +1 more source
A stereodivergent route from D‐mannitol enables access to enantiopure C5‐α‐substituted linezolid analogues with full configurational control. Biological evaluation reveals that α‐substitution abolishes antibacterial activity irrespective of stereochemistry, establishing a strict steric limitation at C5 and highlighting the dominant role of substituent ...
José A. Gálvez +3 more
wiley +1 more source

