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- W1557044070 abstract "With nearly fifty years of rich history of methodology developments and applications (the Hansch article of 1963 is often considered first in the field), quantitative structure/activity relationship (QSAR) modeling is a well-established area of research. As is true perhaps for any computational field, QSAR modeling has been both blessed and sometimes cursed in the literature. In the first volume of the famous book series titled Reviews in Computational Chemistry, Boyd summarized several documented cases when QSAR modeling was instrumental in discovering new drugs of drug candidates in advanced phases of clinical trials. The methodologies used by that time were relatively simple, employing a small number of physical chemical descriptors and statistical methods such as multiple linear regression. QSAR modeling was viewed solely as a tool for lead optimization; that is, it was employed to elucidate the relationship between structure and activity in relatively small congeneric compound series and predict relatively small structural modifications leading to enhanced activity." @default.
- W1557044070 created "2016-06-24" @default.
- W1557044070 creator A5078536199 @default.
- W1557044070 date "2010-05-31" @default.
- W1557044070 modified "2023-10-18" @default.
- W1557044070 title "QSAR in drug discovery" @default.
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- W1557044070 doi "https://doi.org/10.1017/cbo9780511730412.012" @default.
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