《SVM Model for Virtual Screening of Lck Inhibitors》 was written by Liew, Chin Y.; Ma, Xiao H.; Liu, Xianghui; Yap, Chun W.. Related Products of 213743-31-8 And the article was included in Journal of Chemical Information and Modeling on April 30 ,2009. The article conveys some information:
Lymphocyte-specific protein tyrosine kinase (Lck) inhibitors have treatment potential for autoimmune diseases and transplant rejection. A support vector machine (SVM) model trained with 820 pos. compounds (Lck inhibitors) and 70 neg. compounds (Lck noninhibitors) combined with 65 142 generated putative negatives was developed for predicting compounds with a Lck inhibitory activity of IC50 ≤ 10 μM. The SVM model, with an estimated sensitivity of greater than 83% and specificity of greater than 99%, was used to screen 168 014 compounds in the MDDR and was found to have a yield of 45.8% and a false pos. rate of 0.52%. The model was also able to identify novel Lck inhibitors and distinguish inhibitors from structurally similar noninhibitors at a false pos. rate of 0.27%. To the best of our knowledge, the SVM model developed in this work is the first model with a broad applicability domain and low false pos. rate, which makes it very suitable for the virtual screening of chem. libraries for Lck inhibitors. The results came from multiple reactions, including the reaction of 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8Related Products of 213743-31-8)
7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8) belongs to pyrimidine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own. Related Products of 213743-31-8They have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia