Tag: molecular descriptors

New paper in Frontiers in Genetics!

W. Lesiński, K. Mnich, W.R. Rudnicki. Prediction of alternative Drug Induced Liver Injury classifications using molecular descriptors, gene expression perturbation, and toxicology reportsFrontiers in Genetics 12:661075 (2021), DOI: 10.3389/fgene.2021.661075 (100 pkt. MNiSzW) Motivation: Drug-induced liver injury (DILI) is one of the primary problems in drug development. Early prediction of DILI, based on the chemical properties of substances and experiments performed on cell lines, would bring a significant reduction in the…