When Cheminformatics meets Metabolomics...
September 13, 2019
The Renaissance of 4D-QSAR
New publication: Binding of peanut allergen Ara h 2 with Vaccinium fruit polyphenols [Food Chemistry]
February 7, 2019
New publication: Student-Guided Three-Dimensional Printing Activity in Large Lecture Courses: A Practical Guideline (ACS Journal of Chemical Education...
New Publication: chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models
December 4, 2018
New Publication: Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds
New Publication: Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure–Activity Relationships
New Publication: Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Da...
October 22, 2018
September 5, 2018
New Publication: Confirmation of high-throughput screening data and novel mechanistic insights into VDR-xenobiotic interactions by orthogonal assays
June 11, 2018
New Publication: Predicting Adverse Drug Effects from Literature- and Database-Mined Assertions
June 6, 2018
New Publication: Identifying individual risk rare variants using protein structure-guided local tests (POINT).
May 29, 2018
New Publication: Exploring Drug Space with ChemMaps.com
May 22, 2018
Fourches Lab Journal Club: Favorite April Research Articles
May 1, 2018