Method for screening compounds using consensus selection and multiple descriptor sets

摘要

A method for screening compounds for biological activity is disclosed. A test library of compounds is selected. Then, a first analytical model is formed using a first recursive partitioning process. The first recursive partitioning process is performed on at least some of the compounds in the test library of compounds and uses a first descriptor set. Subsequent analytical models are formed using subsequent recursive partitioning processes using the digital computer and use multiple descriptor sets. A consensus compound set is determined using the first analytical model and one or more of the subsequent analytical models.