The COMFA study on Nitrofuranylamides as Novel Antituberculosis Agents
Ping Yi, Yong Ming, Gu Kun · Yunnan Daxue xuebao. Shehui kexue ban · 2005
AIM:To establish the COMFA models of the Nitrofuranylamides and give the theoretical basis to guide the design of the new drug.METHODS and RESULTS: The advanced 3D-QSAR method COMFA(comparative molecular field analysis) was used to study the Nitrofuranylamides and leaded to two COMFA models of these data.The Crossvalidated coefficient q2 of one model reached 0.538,the non-crossvalidated coefficient r~2 was up to 0.939,standard deviation was 2.220,F=46.516 CONCLUSION: In the series of Nitrofuranylamides the COMFA models reveal the relationship between toxicity and structure,they are helpful to the next design work to find new drugs with low toxicity.