SwePub
Tyck till om SwePub Sök här!
Sök i SwePub databas

  Utökad sökning

Träfflista för sökning "WFRF:(Cherkasov R. A.) "

Sökning: WFRF:(Cherkasov R. A.)

  • Resultat 1-2 av 2
Sortera/gruppera träfflistan
   
NumreringReferensOmslagsbildHitta
1.
  • Muratov, E. N., et al. (författare)
  • QSAR without borders
  • 2020
  • Ingår i: Chemical Society Reviews. - : Royal Society of Chemistry (RSC). - 0306-0012 .- 1460-4744. ; 49:11, s. 3525-3564
  • Tidskriftsartikel (refereegranskat)abstract
    • Prediction of chemical bioactivity and physical properties has been one of the most important applications of statistical and more recently, machine learning and artificial intelligence methods in chemical sciences. This field of research, broadly known as quantitative structure-activity relationships (QSAR) modeling, has developed many important algorithms and has found a broad range of applications in physical organic and medicinal chemistry in the past 55+ years. This Perspective summarizes recent technological advances in QSAR modeling but it also highlights the applicability of algorithms, modeling methods, and validation practices developed in QSAR to a wide range of research areas outside of traditional QSAR boundaries including synthesis planning, nanotechnology, materials science, biomaterials, and clinical informatics. As modern research methods generate rapidly increasing amounts of data, the knowledge of robust data-driven modelling methods professed within the QSAR field can become essential for scientists working both within and outside of chemical research. We hope that this contribution highlighting the generalizable components of QSAR modeling will serve to address this challenge.
  •  
2.
  • Cherkasov, A. R., et al. (författare)
  • Correlation analysis in the chemistry of free radicals
  • 2001
  • Ingår i: Uspehi himii. - 0042-1308 .- 1817-5651. ; 70:1, s. 3-27
  • Forskningsöversikt (refereegranskat)abstract
    • Published data available by now on the use of correlation analysis in the free-radical chemistry are discussed systematically. The scales of <> sigma -constants of substituents proposed previously are analysed. It is shown that none of them is suitable as a general scale because almost in all cases, it is impossible to separate correctly the proper radical and polar contributions to the overall effect of substituents. A new approach to the quantitative estimation of the relationship between the structure and reactivity of molecules in free-radical processes is proposed and called r(-2)-analysis.
  •  
Skapa referenser, mejla, bekava och länka
  • Resultat 1-2 av 2

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Stäng

Kopiera och spara länken för att återkomma till aktuell vy