Conditional probability: a new fusion method for merging disparate virtual screening results.
This paper introduces a new consensus scoring approach for merging the results of different virtual screening methods based on conditional probabilities. The technique is experimentally evaluated using several ligand-based virtual screening methods and compared to two variations of the established Sum-rank fusion method where it performs as well or better than the Sum-rank methods. Our experiments confirm that consensus scoring increases the number of active compounds retrieved with respect to the best individual methods on average.
Raymond
John W
JW
Pfizer Global Research and Development, Discovery Technologies, Ann Arbor Laboratories, 2800 Plymouth Road, Ann Arbor, Michigan 48105, USA. john.raymond@pfizer.com
Jalaie
Mehran
M
Bradley
Mary P
MP