Jul 20, 2011 - A challenging practical problem in medicinal chemistry is the transfer of SAR information from one chemical series to another. Currentl...
Jul 20, 2011 - Herein, we present a data mining approach that enables the identification of alternative analog series with different core structures, corresponding substitution patterns, and .... Thus, the SARs of series 1 and 2 are essentially inter
A challenging practical problem in medicinal chemistry is the transfer of SAR information from one chemical series to another. Currently, there are no computational methods available to rationalize or support this process. Herein, we present a data m
Publication Date (Web): March 21, 2012 ... The transfer of SAR information from one analog series to another is a difficult, yet highly attractive task in medicinal ...
Mar 21, 2012 - ABSTRACT: The transfer of SAR information from one analog series to another is a difficult, yet highly attractive task in medicinal chemistry. At present, the evaluation of. SAR transfer potential from a data mining perspective is stil
Jun 28, 2008 - We implemented a common strategy used in linear models in order to preserve the size of the predictor subset by imputing the missing data, null values, with the mean log GI50 of all the screening data for each respective substance.(19)
This article is cited by 21 publications. Wilhelm F. Maier. Early Years of High-Throughput Experimentation and Combinatorial Approaches in Catalysis and ...
top of an iceberg. So far, experimental discovery of new ..... light blue on the left and by highlighting the sidegroups on the right. specified below, a variety of ...
Jun 18, 2008 - E-mail: [email protected]. Phone: ... or families of compounds are stained with oil-based organic dyes that are used as coding tags.
Oct 1, 2015 - Using Crystallographic Data To Facilitate Students' Discovery of How Protein Models Are ProducedâAn Activity Illustrating the Effect of Resolution on Model Quality. Hazel. R. Corradi. Department of Biology and Biochemistry, University
Oct 1, 2015 - Using Crystallographic Data To Facilitate Students' Discovery of How. Protein Models Are Produced An Activity Illustrating the Effect of. Resolution on Model Quality. Hazel. R. Corradi*. Department of Biology and Biochemistry, Universit
Jul 20, 2011 - A challenging practical problem in medicinal chemistry is the transfer of SAR information from one chemical series to another. Currently, there ...
