Results 91 to 100 of about 738 (133)

Statistical analysis of topological indices in linear phenylenes for predicting physicochemical properties using algorithms. [PDF]

Sci Rep
Huang R, Naeem M, Siddiqui MK, Rauf A, Rashid MU, Ali MA.   +5 more
europepmc   +1 more source

Data-Driven Insights into Porphyrin Geometry: Interpretable AI for Non-Planarity and Aromaticity Analyses. [PDF]

J Chem Inf Model
Fite S, Gross Z.
europepmc   +1 more source

Aggregation and Degradation of White Phosphorus Mediated by N-Heterocyclic Carbene Nickel(0) Complexes. [PDF]

Angew Chem Int Ed Engl, 2020
Hierlmeier G, Coburger P, van Leest NP, de Bruin B, Wolf R.   +4 more
europepmc   +1 more source

Solid-State Quantum Coherence From a High-Spin Donor-Acceptor Conjugated Polymer. [PDF]

Adv Mater
Bushnell AJ, Balandin TA, Mahalingam P, Liu CT, Bowman MK, Azoulay JD.   +5 more
europepmc   +1 more source

Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework. [PDF]

J Cheminform
Ganeeva V, Khrabrov K, Kadurin A, Tutubalina E.   +3 more
europepmc   +1 more source

Isocyanides inhibit bacterial pathogens by covalent targeting of essential metabolic enzymes. [PDF]

Chem Sci
Geißler A, Junca H, Kany AM, Daumann LJ, Hirsch AKH, Pieper DH, Sieber SA.   +6 more
europepmc   +1 more source

Differences in the Portrayal of Female and Male Scientists in College Chemistry Textbooks. [PDF]

J Chem Educ
Fair PT, Nilsson MR.
europepmc   +1 more source

TopMT-GAN: a 3D topology-driven generative model for efficient and diverse structure-based ligand design. [PDF]

Chem Sci
Wang S, Lin T, Peng T, Xing E, Chen S, Kara LB, Cheng X.   +6 more
europepmc   +1 more source

Aromaticity of Substituted Benzene Derivatives Employing a New Set of Aromaticity Descriptors Based on the Partition of Electron Density. [PDF]

J Comput Chem
Máximo-Canadas M, Rosa NMP, Borges I.
europepmc   +1 more source

15-Hydroperoxy-PGE₂ : Intermediate in Mammalian and Algal Prostaglandin Biosynthesis. [PDF]

Angew Chem Int Ed Engl, 2019
Jagusch H, Werner M, Werz O, Pohnert G.
europepmc   +1 more source