Amino acid quantitative structure property relationship database: a web-based platform for quantitative investigations of amino acids

Amino acid quantitative structure property relationship database: a web-based platform for quantitative investigations of amino acids.

Here, we present the AA-QSPR Db (Amino Acid Quantitative Structure Property Relationship Database): a novel, freely available web-resource of data pertaining to amino acids, both engineered and naturally occurring. In addition to presenting fundamental molecular descriptors of size, charge and hydrophobicity, it also includes online visualization tools for users to perform instant, interactive ...

Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices

Abstract. Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. A graph is a ...

Quantitative method for estimating fecal amino acids.

We describe a method for quantitatively estimating 24 ninhydrin-reacting substances, including the commoner amino acids, in fecal dialysate prepared from ingested dialysis bags retrieved from fresh stool. It is accurate to 2 mumol of alpha-amino nitrogen per liter of fecal dialysate, and for most substances recovery of added standards is 100%. It involves dilution, ultrafiltration, and automate...

Title: Quantitative Structure-property Relationship Studies on Amino Acid Conjugates of Jasmonic Acid as Defense Signalling Molecules Running title: QSPR of Amino Acid Conjugates of Jasmonic Acid

Design of cinnamaldehyde amino acid Schiff base compounds based on the quantitative structure–activity relationship

Cinnamaldehyde amino acid Schiff base (CAAS) is a new class of safe, bioactive compounds which could be developed as potential antifungal agents for fungal infections. To design new cinnamaldehyde amino acid Schiff base compounds with high bioactivity, the quantitative structure-activity relationships (QSARs) for CAAS compounds against Aspergillus niger (A. niger) and Penicillium citrinum (P. c...