Prediction of Alternative Drug-Induced Liver Injury Classifications Using Molecular Descriptors, Gene Expression Perturbation, and Toxicology Reports. [PDF]
Lesiński W, Mnich K, Rudnicki WR.
europepmc +1 more source
Genetic testing in epithelial ovarian cancer includes both germline and tumor‐testing. This approach often duplicates resources. The current prospective study assessed the feasibility of tumor‐first multigene testing by comparing tumor tissue with germline testing of peripheral blood using an 18‐gene NGS panel in 106 patients.
Elisabeth Spenard +12 more
wiley +1 more source
ERRFI1, a neural crest (NC)‐associated gene, was upregulated in melanoma and negatively correlated with the expression of melanocytic differentiation markers and the susceptibility of melanoma cells toward BRAF inhibitors (BRAFi). Knocking down ERRFI1 significantly increased the sensitivity of melanoma cells to BRAFi.
Nina Wang +8 more
wiley +1 more source
Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors. [PDF]
Manrique PD +14 more
europepmc +1 more source
Combined Pharmacophore and Grid-Independent Molecular Descriptors (GRIND) Analysis to Probe 3D Features of Inositol 1,4,5-Trisphosphate Receptor (IP3R) Inhibitors in Cancer. [PDF]
Ismatullah H, Jabeen I.
europepmc +1 more source
On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors [PDF]
Mari Hansson +7 more
openalex +1 more source
Search for Optimal Molecular Descriptors
We illustrate, on a set of heptane isomers and van der Waals molecular areas as a property, a search for optimal descriptors to be used in multivariate analyses. We employed molecular connectivities as the basis descriptors and examined their various combinations as alternative descriptors that could lead to a better regression.
openaire +2 more sources
Detection of extrachromosomal circular DNA (eccDNA) in plasma samples from EGFR‐mutated non‐small cell lung cancer patients. Plasma was collected before and during treatment with the EGFR‐tyrosine kinase inhibitor osimertinib. Plasma eccDNA was detected in all cancer samples, and the presence of the EGFR gene on eccDNA serves as a potential biomarker ...
Simone Stensgaard +5 more
wiley +1 more source
Prediction of Hydrogen-Bonding Interaction Free Energies with Two New Molecular Descriptors [PDF]
William E. Acree, Costas Panayiotou
openalex +1 more source
Evaluation of Relevant Molecular Descriptors for the Solvation of Paramagnetic Relaxation Reagents. [PDF]
Hans Grahn +4 more
openalex +1 more source

