Molecular Descriptors as a Facile Tool toward Designing Surface-Functionalized Nanoparticles for Drug Delivery. [PDF]
Mol Pharm, 2022 Bhattacharjee S.
europepmc +1 more source
Interrogating the immune landscape of microsatellite stable RAS‐mutated colon cancer
Molecular Oncology, EarlyView.COLOSSUS project RAS‐mutated MSS colon cancer study explored transcriptomics and immune cell density by immunohistochemistry (IHC), Immunoscore (IS), ISIC/TuLIS scores, mutation counts, and detected different prevalences but similar microenvironment composition across immune markers with clinical relevance for future immunotherapy combination ...
Rodrigo Dienstmann +61 more
wiley +1 more source
Predicting rejection of emerging contaminants through RO membrane filtration based on ANN-QSAR modeling approach: trends in molecular descriptors and structures towards rejections. [PDF]
RSC Adv, 2023 Mousavi SL, Sajjadi SM.
europepmc +1 more source
Molecular Oncology, EarlyView.Cytarabine is a key therapy for acute myeloid leukaemia (AML), but its efficacy is limited by the dNTPase SAMHD1, which hydrolyses its active metabolite. Screening nucleotide biosynthesis inhibitors revealed that IMPDH inhibitors selectively sensitise SAMHD1‐proficient AML cells to cytarabine.
Miriam Yagüe‐Capilla +9 more
wiley +1 more source
Use of Three-Dimensional Molecular Descriptors to Predict the Glass Transition Temperature of Polymers. [PDF]
Polymers (Basel)Jr HLO +3 more
europepmc +1 more source
An Explainable Supervised Machine Learning Model for Predicting Respiratory Toxicity of Chemicals Using Optimal Molecular Descriptors. [PDF]
Pharmaceutics, 2022 Jaganathan K, Tayara H, Chong KT.
europepmc +1 more source
Molecular Oncology, EarlyView.Keratin 19 (KRT19) is overexpressed in high‐grade serous ovarian cancer with high levels of Kallikrein‐related peptidases (KLK) 4–7 and is associated with poor survival. In vivo analyses demonstrate that elevated KRT19 increases peritoneal tumour burden.
Sophia Bielesch +13 more
wiley +1 more source
Interpreting Molecular Descriptors for Glass Transition Temperature Prediction and Design of Polyimides. [PDF]
Materials (Basel)Cui T, Liu H, Liu X, Min Y.
europepmc +1 more source
Prediction of Exchange-Correlation Energy of Graphene Sheets from Reverse Degree-Based Molecular Descriptors with Applications. [PDF]
Materials (Basel), 2022 Albadrani M +3 more
europepmc +1 more source
Multivariate analysis of experimental and computational descriptors of molecular lipophilicity
, 1998 Two experimental (log P, RMw) and 17 calculation descriptors for molecular lipophilicity (fragmental, atom-based or based on molecular properties) were investigated by multivariate analysis for a database of 159 compounds including both simple ...
K. Dross +3 more
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