It is my distinct honour and privilege to welcome you to the Journal of Theoretical and Computational Science.

The Journal of Theoretical and Computational Science aims to spread knowledge and promote discussion through the publication of peer-reviewed, high quality research papers on all topics related to Modern Scientific Techniques. The open access journal is published by Longdom Publishing who hosts open access peer-reviewed journals as well as organizes conferences that hosts the work of researchers in a manner that exemplifies the highest standards in research integrity.

Structure-activity relationship (SAR) explores the relationship between a molecule's biological activity and its three dimensional (3D) structure of the molecule. Creative Biolabs provides tailored SAR and QSAR model building services to accelerate your drug discovery process.Generally, if the structure of a hit is known, the biological effects of the hit are predicted using other similar compounds' data. This is on the basis that structurally similar compounds may have similar physical and biological properties. Computational chemistry and molecular modeling softwares are adopted as effective tools in identifying binding site interactions.

SAR is valuable information in drug discovery and development. It is applied for discovering and developing new compounds, as well as assessing potential health risks posed by existing compounds. For instance, the analysis of SAR enables the determination of which chemical groups play an important role in evoking a target effect in the organism. This determination allows rationally modification of the effect or improving the potency of a bioactive compound by changing its chemical structure or insert new chemical groups. In the case of risk assessment, similar data from the most sensitive toxicological endpoints can be used such as carcinogenicity or cardiotoxicity.

We always encourage your research works under the scope of our Journal of Theoretical and Computational Science.

With regards,

Clara

Managing Editor

Journal of Theoretical and Computational Science

WhatsApp: +3225889658