Towards better modelling of drug-loading in solid lipid nanoparticles: Molecular dynamics, docking experiments and Gaussian Processes machine learning

European Journal of Pharmaceutics and Biopharmaceutics

Volumn 108, Issue , 2016, Pages 262-268

  Hathout, Rania M ^a,b,c   Metwally, Abdelkader A ^a  

^a Ain Shams University   (Egypt)

^b Ain Shams University   (Egypt)

^c German University in Cairo   (Egypt)

Author keywords

Computational pharmaceutics; Descriptors; Docking; Gaussian; Lipid nanoparticles; Machine learning; Molecular dynamics

Indexed keywords

ACECLOFENAC; ARTEMETHER; CLOZAPINE; CURCUMIN; LOMEFLOXACIN; MEPIVACAINE; NANOCARRIER; PIROXICAM; PRAZIQUANTEL; RALOXIFENE; RESVERATROL; SILIBININ; SOLID LIPID NANOPARTICLE; TAMOXIFEN; TESTOSTERONE; TRIPALMITIN; VINPOCETINE; DRUG CARRIER; LIPID; NANOPARTICLE; POLYSORBATE; TRIACYLGLYCEROL;

ARTICLE; ARTIFICIAL INTELLIGENCE; ARTIFICIAL NEURAL NETWORK; BIOINFORMATICS; CHEMICAL STRUCTURE; COMPUTER MODEL; CONTROLLED STUDY; DATA ANALYSIS; DATA ANALYSIS SOFTWARE; DATA MINING; DRUG DELIVERY SYSTEM; DRUG FORMULATION; ENERGY; KERNEL METHOD; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; SUPERVISED MACHINE LEARNING; CHEMISTRY; HYDROGEN BOND; MACHINE LEARNING; NORMAL DISTRIBUTION; SOFTWARE; THEORETICAL MODEL;

ARTIFICIAL INTELLIGENCE; CURCUMIN; DRUG CARRIERS; DRUG DELIVERY SYSTEMS; HYDROGEN BONDING; LIPIDS; MACHINE LEARNING; MODELS, THEORETICAL; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NANOPARTICLES; NORMAL DISTRIBUTION; POLYSORBATES; SOFTWARE; TRIGLYCERIDES;

EID: 84992712389     PISSN: 09396411     EISSN: 18733441     Source Type: Journal    
DOI: 10.1016/j.ejpb.2016.07.019     Document Type: Article

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