Results 101 to 110 of about 114,349,436 (308)
Genetic programming in data mining for drug discovery [PDF]
, 2004 Genetic programming (GP) is used to extract from rat oral bioavailability (OB) measurements simple, interpretable and predictive QSAR models which both generalise to rats and to marketed drugs in humans. Receiver Operating Characteristics (ROC) curves
Barrett, S.J., Langdon, W.B.
core
Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike molecules [PDF]
, 2014 We present four models of solution free-energy prediction for druglike molecules utilizing cheminformatics descriptors and theoretically calculated thermodynamic values.
van Mourik, Tanja +17 more
core +1 more source
Advanced Functional Materials, EarlyView.Aberrant glycosylation in the glioblastoma tumor microenvironment drives therapeutic resistance. Here, a 3D bioprinted model was engineered by incorporating α‐NeuNAc‐(2→3)‐β‐D‐Gal‐ and chondroitin sulfate. Combined multiplex immunofluorescence and synchrotron‐based nanoCT analysis revealed that glycan‐matrix interactions dictate specific drug‐escape ...
Francesca Cadamuro +25 more
wiley +1 more source
In Silico Docking and Admet Prediction of a Novel Antibacterial Derivatives (Schiff Base) Targeting Dihydropteroate Synthase (1aj2) [PDF]
Schiff base-containing (imine or azomethine–C=N–) derivatives have been investigated in relation to a broad range of activity, including antibacterial activity, antiviral activity, anticancer activity, polymer technology and in many other areas due to ...
Shubham N Karle, Megha T Salve
core +1 more source
In silico predictions of genotoxicity for aromatic amines
Frontiers in Bioscience, 2014 Insufficient drug safety is one of the major reasons for failure of drug candidates in Phase II and Phase III clinical trials. Determining toxicity early during the drug discovery process can help lower the attrition rate in clinical trials and lead to significant cost savings.
Jorg, Bentzien, Ingo, Muegge
openaire +2 more sources
Advanced Healthcare Materials, EarlyView.We developed a patient‐derived, functional microfluidic model of the diffuse midline glioma (DMG) blood–brain–tumor barrier (BBTB) comprised of endothelial cells, astrocytes, pericytes, and tumor cells. The system forms perfusable microvasculature, reveals the BBTB retains vascular integrity, identifies DMG‐specific transcriptomic changes distinct from
Kimberly R. Bennett +7 more
wiley +1 more source
in-silico-taxon-set-alignment-data.tar.gz
, 2014 Archive file containing nested directories of in-silico alignment and analysis data.
Brant C. Faircloth (143432) +7 more
core +1 more source
Advanced Healthcare Materials, EarlyView.Conventional therapies suffer from poor blood–brain barrier (BBB) penetration and disordered ion/reactive oxygen species (ROS) homeostasis, hindering precise neurological treatment. Electrochemical strategies achieve accurate spatiotemporal regulation of neural homeostasis.
Xiaokang Hu +5 more
wiley +1 more source
Prediction of deleterious effect in p.Arg82Leu variant using in silico prediction tools.
, 2013 Prediction of deleterious effect in p.Arg82Leu variant using in silico prediction tools.
Anulekha Mary John (405890) +6 more
core +1 more source