Virtual screening methods as tools for drug lead discovery from large chemical libraries

Virtual screening methods as tools for drug lead discovery from large chemical libraries

10.2174/092986712803833245

Saved in:

Bibliographic Details
Main Authors:	Ma, X.H., Zhu, F., Liu, X., Shi, Z., Zhang, J.X., Yang, S.Y., Wei, Y.Q., Chen, Y.Z.
Other Authors:	PHARMACY
Published:	2014
Subjects:	Machine learning Molecular docking Pharmacophore Quantitative structure activity relationship Similarity searching Support vector machines
Online Access:	http://scholarbank.nus.edu.sg/handle/10635/106506
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	National University of Singapore

Similar Items

Virtual screening prediction of new potential organocatalysts for direct aldol reactions
by: Liu, X.H., et al.
Published: (2014)

Effect of training data size and noise level on support vector machines virtual screening of genotoxic compounds from large compound libraries
by: Kumar, P., et al.
Published: (2014)

Exploration of N-(2-aminoethyl)piperidine-4-carboxamide as a potential scaffold for development of VEGFR-2, ERK-2 and Abl-1 multikinase inhibitor
by: Jin, F., et al.
Published: (2014)

Prediction of transporter family from protein sequence by support vector machine approach
by: Lin, H.H., et al.
Published: (2014)

Comparative virtual screening and novelty detection for NMDA-Glycine B antagonists
by: Krueger, B.A., et al.
Published: (2014)

Combinatorial support vector machines approach for virtual screening of selective multi-target serotonin reuptake inhibitors from large compound libraries
by: Shi, Z., et al.
Published: (2014)

Identifying novel type ZBGs and nonhydroxamate HDAC inhibitors through a SVM based virtual screening approach
by: Liu, X.H., et al.
Published: (2014)

A Rational Workflow for Sequential Virtual Screening of Chemical Libraries on Searching for New Tyrosinase Inhibitors
by: Le, Thi Thu Huong
Published: (2016)

Prediction of torsade-causing potential of drugs by support vector machine approach
by: Yap, C.W., et al.
Published: (2014)

Discovery of a small-molecule inhibitor of STAT3 by ligand-based pharmacophore screening
by: Leung, Ka-Ho, et al.
Published: (2016)

Coreference Resolution in Vietnamese Electronic Medical Records
by: Nguyen, Hung D., et al.
Published: (2019)

Methods to Improve Virtual Screening of Potential Drug Leads for Specific Pharmacodynamic and Toxicological Properties
by: LIEW CHIN YEE
Published: (2012)

Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries
by: Han, B., et al.
Published: (2014)

Prediction of antifungal activity with support vector machine
by: Li, Z.-R., et al.
Published: (2014)

Feature selection using stochastic search: An application to system identification
by: Saitta, S., et al.
Published: (2013)

Virtual screening of selective multitarget kinase inhibitors by combinatorial support vector machines
by: Ma, X.H., et al.
Published: (2014)

Supervised and unsupervised machine learning for side-channel based Trojan detection
by: Jap, Dirmanto, et al.
Published: (2017)

Computer prediction of allergen proteins from sequence-derived protein structural and physicochemical properties
by: Cui, J., et al.
Published: (2014)

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

Intelligent ethernet based open architecture control system for machine tools
by: Ramesh, R., et al.
Published: (2014)

Development of Virtual Screening and In Silico Biomarker Identification Model for Pharmaceutical Agents
by: ZHANG JINGXIAN
Published: (2012)

An extended Lagrangian support vector machine for classifications
by: Yang, X., et al.
Published: (2014)

High performance computational virtual screening tools: development and application to the discovery of kinase inhibitors
by: MA XIAOHUA
Published: (2011)

Text classification with kernels on the multinomial manifold
by: Zhang, D., et al.
Published: (2014)

Pharmacophore modeling for the identification of small-molecule inhibitors of TACE
by: Liu, Li-Juan, et al.
Published: (2016)

Convergence of the extended Lagrangian support vector machine
by: Yang, X.W., et al.
Published: (2014)

QSAR and predictors of eye and skin effects
by: Liew, C.Y., et al.
Published: (2014)

Identification of small molecule aggregators from large compound libraries by support vector machines
by: Rao, H., et al.
Published: (2014)

Minerva: Sequential covering for rule extraction
by: Huysmans, J., et al.
Published: (2013)

Efficient tuning of SVM hyperparameters using radius/margin bound and iterative algorithms
by: Keerthi, S.S.
Published: (2014)

Convergence of a generalized SMO algorithm for SVM classifier design
by: Keerthi, S.S., et al.
Published: (2014)

Generating an SVM Kernel function using genetic algorithm
by: IMMER, BALDOS
Published: (2012)

Essay question generator based on Bloom’s taxonomy for assessing automated essay scoring system
by: Contreras, Jennifer O., et al.
Published: (2021)

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

Prediction of factor Xa inhibitors by machine learning methods
by: Lin, H.H., et al.
Published: (2014)

Automatic identification and removal of artifacts in EEG using a probabilistic multi-class SVM approach with error correction
by: Shao, S.-Y., et al.
Published: (2014)

Geometric error compensation for multi-axial precision motion systems using support vectors
by: Teo, C.-S., et al.
Published: (2014)

Emotional sentence identification in a story
by: Zhang, Z., et al.
Published: (2014)

Does drug-target have a likeness?
by: Xu, H., et al.
Published: (2014)

A hybrid SOM-SVM approach for the zebrafish gene expression analysis
by: Wu, W., et al.
Published: (2013)