Results 41 to 50 of about 123,424 (284)

Vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes [PDF]

Journal of the Serbian Chemical Society, 2012
Several recently published papers report expressions for various vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes. We deduce here the general expression for these descriptors, and show that a simple and generally
Gutman Ivan, Furtula Boris
doaj   +1 more source

Modeling of the Acute Toxicity of Benzene Derivatives by Complementary QSAR Methods [PDF]

, 2013
A data set containing acute toxicity values (96-h LC50) of 69 substituted benzenes for fathead minnow (Pimephales promelas) was investigated with two Quantitative Structure- Activity Relationship (QSAR) models, either using or not using molecular ...
Bertinetto, Carlo, Duce, Celia, Héberger, Károly, Solaro, Roberto   +3 more
core  

Sirolimus for Extracranial Arteriovenous Malformations: A Scoping Review of the Evidence in Syndromic and Non‐Syndromic Cases

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Arteriovenous malformations (AVMs) are rare, high‐flow, vascular anomalies that can occur either sporadically or as part of a genetic syndrome. AVMs can progress with serious morbidity and even mortality if left unchecked. Sirolimus is an mTOR inhibitor that is effective in low‐flow vascular malformations; however, its role in AVMs is unclear.
Will Swansson, Ingrid Winship, Gary Hammerschlag, Laura Scardamaglia   +3 more
wiley   +1 more source

Evaluating the Utility of Paired Tumor and Germline Targeted DNA Sequencing for Pediatric Oncology Patients: A Single Institution Report

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Objective To evaluate the diagnostic yield and utility of universal paired tumor–normal multigene panel sequencing in newly diagnosed pediatric solid and central nervous system (CNS) tumor patients and to compare the detection of germline pathogenic/likely pathogenic variants (PV/LPVs) against established clinical referral criteria for cancer ...
Natalie Waligorski, Rebecca Ronsley, Shannon M. Stasi, Jeffrey Stevens, Erin R. Rudzinski, Christina M. Lockwood, Sarah E. S. Leary, Bonnie L. Cole, Michelle A. Ting, Vera Paulson   +9 more
wiley   +1 more source

BOOL-AN: A method for comparative sequence analysis and phylogenetic reconstruction [PDF]

, 2009
A novel discrete mathematical approach is proposed as an additional tool for molecular systematics which does not require prior statistical assumptions concerning the evolutionary process.
Ari, Eszter, Horváth, Arnold, Ittzés, Péter, Jakó, Éena, Podani, János   +4 more
core   +1 more source

Molecular graphics-structural and molecular graphics descriptors in a QSAR study of 17-a-acetoxyprogesterones

Journal of the Brazilian Chemical Society, 2003
Quantitative Structure-Activity Relationship study on 21 oral progestogens, 19 of which are 17-alpha-acetoxyprogesterones, was performed by using Partial Least Squares.
Kiralj Rudolf, Ferreira Márcia M. C.
doaj  

Topological analysis of tetracyanobenzene metal–organic framework

Scientific Reports
Metal–organic frameworks (MOFs) are vital in modern material science, offering unique properties for gas storage, catalysis, and drug delivery due to their highly porous and customizable structures.
Ibrahim Al-Dayel, Muhammad Faisal Nadeem, Meraj Ali Khan   +2 more
doaj   +1 more source

The EVA spectral descriptor [PDF]

, 2000
The EVA descriptor is derived from fundamental IR- and Raman range molecular vibrational frequencies. EVA is sensitive to 3D structure but has an advantage over field-based 3D-QSAR methods inasmuch as it is invariant to both translation and rotation of ...
Turner, D.B., Willett, P.
core   +1 more source

NRASQ61R Expression in Lymphatic Endothelial Cells Causes Enlarged Vessels, Hemorrhagic Chylous Effusions, and High Mortality in a Mouse Model of Kaposiform Lymphangiomatosis

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Kaposiform lymphangiomatosis (KLA) is an aggressive complex lymphatic anomaly. Patients exhibit malformed lymphatic vessels and often develop hemorrhagic effusions and elevated angiopoietin‐2 (Ang‐2) levels. A somatic NRAS p.Q61R (NRASQ61R) mutation has been associated with KLA.
C. Griffin McDaniel, Patricia Pastura, Joshua P. Scallan, Timothy D. Le Cras   +3 more
wiley   +1 more source

Quantitative structure-activity relationship model development for estimating the predicted No-effect concentration of petroleum hydrocarbon and derivatives in the ecological risk assessment

Heliyon
Quantitative structure-activity relationship (QSAR) is a cost-effective solution to directly and accurately estimating the environmental safety thresholds (ESTs) of pollutants in the ecological risk assessment due to the lack of toxicity data.
Jiajia Wei, Lei Tian, Fan Nie, Zhiguo Shao, Zhansheng Wang, Yu Xu, Mei He   +6 more
doaj   +1 more source