Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods

Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods

10.1021/ci050135u

Saved in:

Bibliographic Details
Main Authors:	Li, H., Yap, C.W., Ung, C.Y., Xue, Y., Cao, Z.W., Chen, Y.Z.
Other Authors:	COMPUTATIONAL SCIENCE
Format:	Article
Published:	2014
Online Access:	http://scholarbank.nus.edu.sg/handle/10635/114321
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	National University of Singapore

Similar Items

Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods
by: Li, H., et al.
Published: (2014)

Classification of a diverse set of Tetrahymena pyriformis toxicity chemical compounds from molecular descriptors by statistical learning methods
by: Xue, Y., et al.
Published: (2014)

Computer prediction of cardiovascular and hematological agents by statistical learning methods
by: Chen, X., et al.
Published: (2014)

Statistical learning approach for predicting specific pharmacodynamic, pharmacokinetic, or toxicological properties of pharmaceutical agents
by: Li, H., et al.
Published: (2014)

A comparison of pregnancy outcomes after second-trimester amniocentesis between cases with penetration of the placenta and nonpenetration
by: Pakorn Chaksuwat, et al.
Published: (2020)

Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents
by: Xue, Y., et al.
Published: (2014)

Prediction of genotoxicity of chemical compounds by statistical learning methods
by: Li, H., et al.
Published: (2014)

Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods
by: Yap, C.W., et al.
Published: (2014)

On the field leakage of the leapfrog ADI-FDTD method for nonpenetrable targets
by: Gan, Theng Huat, et al.
Published: (2014)

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
by: Yap, C.W.
Published: (2014)

MODEL - Molecular descriptor lab: A web-based server for computing structural and physicochemical features of compounds
by: Li, Z.R., et al.
Published: (2014)

Improved prediction and characterization of blood-brain barrier penetrating peptides using estimated propensity scores of dipeptides
by: Charoenkwan P.
Published: (2023)

Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methods
by: Yap, C.W., et al.
Published: (2014)

Efficacy of different protein descriptors in predicting protein functional families
by: Ong, S.A.K., et al.
Published: (2014)

Prediction of functional class of the SARS coronavirus proteins by a statistical learning method
by: Cai, C.Z., et al.
Published: (2014)

In silico prediction of pregnane X receptor activators by machine learning approaches
by: Ung, C.Y., et al.
Published: (2014)

Nanoparticles of biodegradable polymers for delivery of therapeutic agents and diagnostic sensitizers to cross the blood brain barrier (BBB) for chemotherapy and MRI of the brain
by: CHEN LIRONG
Published: (2010)

Blood brain barrier in hypoxic-ischemic conditions
by: Kaur, C., et al.
Published: (2011)

Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach
by: Chen, Y.Z., et al.
Published: (2014)

Computer automated prediction of potential therapeutic and toxicity protein targets of bioactive compounds from Chinese medicinal plants
by: Chen, Y.Z., et al.
Published: (2014)

Role of p-glycoprotein in limiting the brain penetration of glabridin, an active isoflavan from the root of Glycyrrhiza glabra
by: Yu, X.-Y., et al.
Published: (2014)

Are herb-pairs of traditional Chinese medicine distinguishable from others? Pattern analysis and artificial intelligence classification study of traditionally defined herbal properties
by: Ung, C.Y., et al.
Published: (2014)

Predicting functional family of novel enzymes irrespective of sequence similarity: A statistical learning approach
by: Han, L.Y., et al.
Published: (2014)

At the interface of statistics and brain science
by: Aston, J.A.D., et al.
Published: (2014)

Symmetry robust descriptor for non-rigid surface matching
by: Zhang, Z., et al.
Published: (2014)

Transferrin-conjugated nanoparticles of Poly(lactide)-d-α-Tocopheryl polyethylene glycol succinate diblock copolymer for targeted drug delivery across the blood-brain barrier
by: Gan, C.W., et al.
Published: (2014)

S100B as a marker for brain damage and blood-brain barrier disruption following exercise
by: Koh S.X.T., et al.
Published: (2020)

Remodeling of Membrane-Bound Glycoproteins Containing α-D-Galactose in the Cerebral Endothelial Cells of Rats during Blood-Brain Barrier Maturation and Alteration
by: Wu, C.H., et al.
Published: (2012)

Surface-penetrating flexible membrane wave barriers of finite draft
by: Lee, Wei Koon.
Published: (2008)

Inclusion principle for descriptor systems
by: Chu, D., et al.
Published: (2014)

Low level descriptors for automatic violin transcription
by: Loscos, A., et al.
Published: (2013)

Polymeric micelles anchored with TAT for delivery of antibiotics across the blood-brain barrier
by: Liu, L., et al.
Published: (2016)

Polymeric micelles anchored with TAT for delivery of antibiotics across the blood-brain barrier
by: Liu, L., et al.
Published: (2011)

MDR1, the blood-brain barrier transporter, is associated with Parkinson's disease in ethnic Chinese
by: Lee C.G., et al.
Published: (2018)

In silico prediction and screening of γ-secretase inhibitors by molecular descriptors and machine learning methods
by: Yang, X.-G., et al.
Published: (2014)

The gut microbiota influences blood-brain barrier permeability in mice
by: Braniste, Viorica, et al.
Published: (2016)

Blood brain barrier: a tissue engineered microfluidic chip
by: Musafargani, Sikkandhar, et al.
Published: (2022)

Antibiotic delivery across the blood-brain barrier by nanoparticle system
by: Liu, Li Hong
Published: (2009)

Control of the blood-brain barrier by glucocorticoids and the cells of the neurovascular unit
by: Susanne Kröll, et al.
Published: (2018)

Pathogenesis of severe falciparum malaria at the blood brain barrier in vitro
by: Lertyot Treeratanapiboon
Published: (2023)