Schroeter, Timon Sebastian <br/><br/>
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.  [electronic resource] 

 -  Journal of computer-aided molecular design  Dec 2007 
 - 651-64 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>0920-654X 
<br/><br/><label>Standard No.: </label>10.1007/s10822-007-9160-9  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Algorithms<br/>Artificial Intelligence<br/>Drug Design<br/>Pharmaceutical Preparations--chemistry<br/>Quantitative Structure-Activity Relationship<br/>Solubility<br/>Water--chemistry