Are Bioinformatics Results Too Good To Be True?

I came across an interesting┬ápaper by Ann Boulesteix where she discusses the problem of false positive results being reported in the bioinformatics literature. She highlights two underlying phenomena that lead to this issue – “fishing for significance” and “publication bias”. The former phenomenon is characterized by researchers identifying datasets on which their method works better […]

New Version of rpubchem

Version 1.4.3 of rpubchem is out on CRAN. There’s some minor code cleanups and also a new function called get.aid.by.cid which allows you to get assay ID’s based on whether they contain a compound (either as an active, inactive, discrepant or just tested). This uses PUG to perform the query, so can be a bit […]

Updated Versions of R Packages

New versions of several of my R packages are now available on CRAN. rcdk 2.9.6 goes along with rcdklibs 1.2.3. The latter now uses the most recent cdk-1.2.x branch from Github. The former fixes a number of bugs relating to descriptor calculations, saving molecules in SD format and setting/getting properties on molecules. Unfortunately, because the […]