| 10424398 |
Method for aligning molecules in three dimensions based upon their correspondence to an exemplary template molecule for use in performing 3D QSAR analyses |
— |
2019-09-24 |
| 8504302 |
Template constrained fragment alignment used to identify fragments of similar shape and activity in drug development |
— |
2013-08-06 |
| 7860657 |
Forward synthetic synthon generation and its useto identify molecules similar in 3 dimensional shape to pharmaceutical lead compounds |
Robert Jilek |
2010-12-28 |
| 7330793 |
Method for searching heterogeneous compound databases using topomeric shape descriptors and pharmacophoric features |
Robert Jilek, Qian Liu, Stephan Guessregen, Bernd Wendt, Katherine M. Andrews |
2008-02-12 |
| 7329222 |
Comparative field analysis (CoMFA) utilizing topomeric alignment of molecular fragments |
Robert Jilek |
2008-02-12 |
| 7184893 |
Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors |
Robert D. Clark |
2007-02-27 |
| 7136758 |
Virtual library searchable for possible combinatorially derived product molecules having desired properties without the necessity of generating product structures |
David Patterson |
2006-11-14 |
| 7096162 |
Computer-implemented method of merging libraries of molecules using validated molecular structural descriptors and neighborhood distances to maximize diversity and minimize redundancy |
David Patterson |
2006-08-22 |
| 6240374 |
Further method of creating and rapidly searching a virtual library of potential molecules using validated molecular structural descriptors |
David Patterson |
2001-05-29 |
| 6185506 |
Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors |
David Patterson, Robert D. Clark, Allan M. Ferguson |
2001-02-06 |
| 5307287 |
Comparative molecular field analysis (COMFA) |
Svante Bjarne Wold |
1994-04-26 |
| 5025388 |
Comparative molecular field analysis (CoMFA) |
Svante Bjarne Wold |
1991-06-18 |