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QSAR - Quantitative Structure Activity Relationship

 
QSAR

QSAR ist die Abkürzung für den englischen Ausdruck Quantitative Structure-Activity Relationship: Quantitative Struktur-Wirkungs-Beziehung. Mittels der QSAR-Methoden wird versucht, zwischen der Struktur von Molekülen und deren Wirkungen (z. B. physikalisch, chemisch, pharmakologisch, biologisch) quantitative Beziehungen herzustellen, die sich in Zahlenverhältnissen ausdrücken lassen.

Online verfügbare Informationen zur Quantitativen Struktur-Wirkungs-Beziehungen, QSAR.

Weitere Informationen zum Thema und ähnliche Themengebiete sowie Informationsquellen in englischer Sprache finden Sie im Menüfeld am linken Bildrand.

[Soft] [Jour] [Org]

APEX-3D
... is an expert system developed to represent, elucidate, and utilize knowledge on structure-activity relationships. NetSci - [USA > e]

CODESSA™
... is an advanced, fully featured Quantitative Structure/Activity Relationship (QSAR) program that ties information from AMPAC™ and other Quantum Mechanics programs with experimental data. Semichem - [USA > e]

GOLPE
GOLPE (Generating Optimal Linear PLS Estimations) is the state of the art chemometric toolbox for 3D QSAR. Multivariate Infometric Analysis S.r.l. - [IT > e]

QSAR Application Toolbox
... is a software application intended to be used by governments, chemical industry and other stakeholders in filling gaps in (eco)toxicity data needed for assessing the hazards of chemicals. The Toolbox incorporates information and tools from various sources into a logical workflow. Crucial to this workflow is grouping chemicals into chemical categories. QECD - [INT > e]

Quasar
The quasi-atomistic receptor modeling software Quasar is a genuine 6D-QSAR tool which explicitly allows for induced fit — the structural adaptation of the protein to the topology of a ligand molecule. Biographics Laboratory - [CH > e]

[Soft] [Jour] [Org]

QSAR & Combinatorial Science
... is the international forum for high-quality results on all aspects of computer-assisted methods and combinatorial techniques including cheminformatics, bioinformatics, chemometrics, virtual screening, and molecular modeling. Wiley-Interscience - [e]

SAR and QSAR in Environmental Research
... is an international journal welcoming papers on the fundamental and practical aspects of the structure-activity and structure-property relationships in the fields of environmental science, agrochemistry, toxicology, pharmacology and applied chemistry. Taylor & Francis - [UK > e]

[Soft] [Jour] [Org]

Cheminformatics and QSAR Society
... of scientists who are involved in Cheminformatics, and/or investigate quantitative structure-activity relationships in medicinal, agricultural, or environmental chemistry - [USA > e]