Results 241 to 250 of about 1,912,516 (286)

Protocol for cyclic DNA-damaging treatments to generate high mutational burden in the human A549 cell line. [PDF]

STAR Protoc
Imre G, Juhász S.
europepmc   +1 more source

A multi-tiered workflow for examining organic acid profiles delineates tissue-specific changes in fatty acyl partitioning during aging. [PDF]

Cell Rep Methods
Zhou Z, Cao C, Lu T, Ruan Y, Li B, Cao M, Mo L, Shui G, Lam SM.   +8 more
europepmc   +1 more source

Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor

Chemical Communications, 2022
Sigma profiles are shown to be universal molecular descriptors in the prediction of material properties using powerful deep learning methodologies.
Yamil J Colón, Edward J. Maginn, Dinis O Abranches   +2 more
exaly   +3 more sources

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Predicting Thermophysical Properties of Dialkylimidazolium Ionic Liquids From Sigma Profiles

Journal of Molecular Liquids, 2021
Abstract We present a Support Vector Regression (SVR) machine learning framework for predicting the viscosity, ionic conductivity, and density of imidazolium ionic liquids (ILs) using a universal set of features extracted from COSMO-RS sigma profiles.
Baldea, Michael, Mark A. Stadtherr, Joan Brennecke   +2 more
exaly   +2 more sources

Sigma Receptor Binding Profile of a Series of Analgesic Tropane Derivatives

Archiv Der Pharmazie, 2002
The binding profile on sigma receptor subtypes of a family of tropane derivatives, previously studied as analgesic and nootropic drugs, is reported. The results show that the sigma receptors are not involved in the enhancement of acetylcholine release and of the consequent analgesic activity of this class of drugs.
Maria Novella Romanelli, Agostino Marrazzo, Elisabetta Teodori   +2 more
exaly   +5 more sources

Sigma-Profile Database for Using COSMO-Based Thermodynamic Methods

Industrial & Engineering Chemistry Research, 2006
Thermodynamic methods based on conductor-like screening models (COSMO) originated from the use of solvation thermodynamics and computational quantum mechanics. These methods rely on sigma profiles specific to each molecule. A sigma profile is the probability distribution of a molecular surface segment having a specific charge density.
Michael Zwolak, Shu Wang, Y A
exaly   +3 more sources