The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
We have found that molecular shape and electrostatics, in conjunction with 2D structural fingerprints, are important variables in discriminating classes of active and inactive compounds. The subject of this paper is how to explore the selection of these variables and identify their relative importance in quantitative structure–activity relationships (QSAR) analysis. We show the use of these variables...