Results 81 to 90 of about 40,634 (157)

Artificial intelligence-driven magnetic property prediction and materials discovery for next-generation spintronics. [PDF]

RSC Adv
Elilarassi R, Sivanandakumar D, Nagarajan P, Ilanchezhiyan P, Venkatachalapathy VSK, Velmurugan K.   +5 more
europepmc   +1 more source

Multi-criteria decision analysis of dendrimer applications in drug delivery systems. [PDF]

Eur Phys J E Soft Matter
Bibi Z, Ghafar MS, Ali Y, Imran M, Shang Y.   +4 more
europepmc   +1 more source

Structural Prerequisites for Pim-1 Kinase Inhibition and the Identification of a Pyrazolyl-Methylene-Indolinone Hit. [PDF]

Drug Des Devel Ther
Al Zoubi R, Hadieh O, Alnabulsi S, Isawi IH, Liu S.   +4 more
europepmc   +1 more source

graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. [PDF]

J Cheminform
Sil S, Maskeri MA, Scheidt KA.
europepmc   +1 more source

Graph Theory of Deep Eutectic Solvents: From Typed Interaction Networks to Property Prediction. [PDF]

J Phys Chem B
Aparicio S.
europepmc   +1 more source

Eccentricity-based topological indices of QSPR modelling using anti-cancer drugs. [PDF]

Front Chem
Vimala R, Ravi Sankar J.
europepmc   +1 more source

Chemically Interpretable Prediction Models for Silicon and Germanium Bond Dissociation Enthalpies. [PDF]

ACS Omega
Araujo Dias AJ, Nagashima Y.
europepmc   +1 more source

Prodeg type Shannon graph entropies with closed forms bounds and QSPR modeling. [PDF]

Sci Rep
Alsharafi M, Zeren Y.
europepmc   +1 more source

Integrating Low-Cost xTB Electronic Priors for Predicting Electronic and Excited-State Properties of Organic Conjugated Molecules. [PDF]

Chemphyschem
Zeng M, Huai L, Liu T, Liu Y, Jiang X.
europepmc   +1 more source