automation for drug discovery
scientific american - 2001 08 - cyber cells - simulating life for drug discovery
... is for a gene to code for multiple proteins What if someone applies for a patent for a gene that expresses a particular protein and someone else applies for a patent for the same gene coding for ... and informed him that his friend was insane: he had been employing men for nearly a month in battering stones to bits, and if he had any friendship for the gentleman, he ought certainly to inform ... worker for trying to form a union generally has the upper hand That also applies to jobs covered by labor laws Ac20 cording to Human Rights Watch, the financial penalty for firing a worker for orgaPRIVATE-SECTOR...
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computational medicinal chemistry for drug discovery - p. bultinck, et al., (marcel dekker, 2004)
... equatorial conformers for the dierent force elds All force elds correctly predict the equatorial Molecular Mechanics and Comparison of Force Fields Figure Calculated equatorialaxial conformational ... different force elds to reproduce conformational energies The relative performance of the ability to reproduce geometries is not included as this is done reasonably well by most force elds The force ... 90% Data for most force elds were taken from the literature [30,35] Updated and newly determined results can be found in Appendix A The mean absolute errors (MAEs) for each force eld and for three...
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Chemical and pharmacological studies of ardisia elliptica antiplatelet, anticoagulant activities and multivariate data analysis for drug discovery
... 42 1.3.1 Metabolomics for quality control of medicinal plants 44 1.3.2 Metabolomics and analysis of pharmacological effects 45 1.3.3 Using metabolomics for drug discovery from medicinal ... responsible for the anticoagulant activity in extracts of A elliptica As the conventional process of repeated fractionation is a tedious process for the discovery of bioactive components, a platform ... Chinese herb Illicium anisatum or star anise 1.2.1 Natural products in drug discovery While the impact of natural products on drug discovery is apparent, pharmacognosy is not favoured by the pharmaceutical...
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Development and interpretation of machine learning models for drug discovery
... learning for LBVS will be covered Hence, the following chapter will introduce some basic concepts of in silico modeling for drug discovery Concepts Machine learning models for drug discovery ... Clinical Development Drug Discovery Figure 1: The major steps of the drug development process determine whether it is safe to test the drug in clinical trials, where the drug is tested in a group ... models for drug discovery, and introduces chemically intuitive interpretations Thereby, we hope to contribute to further enhanced communication in interdisciplinary drug development teams The drug...
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In silico drug discovery on computational Grids for finding novel drugs against neglected diseases
... Novel drugs and Circumventing drug infections annually resistance Safe, orally bioavailable drugs, especially for the visceral form of the disease Safe, orally bioavailable drugs, especially for ... the drug discovery and development and most of the times run complementing each other [41] Rational drug discovery or computer aided drug discovery (CADD) is defined as a process by which drugs ... rational drug discovery methods will increase the hit rate when compared to random high throughput screening approach 19 Chapter State of the art on rational drug discovery Why computer aided drug discovery...
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Báo cáo y học: "Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery" doc
... these old 'safe' drugs, which supports an increasingly shared notion in drug development that the most fruitful basis for the discovery of a new drug is to start with an old drug [83-85] Another ... attributed in part to the limitations of the current one -drug- one-target paradigm in drug discovery [79,86] Therefore, more and more efforts are devoted to finding new therapeutics aimed at multiple ... way for drug discovery J Med Chem 2004, 47:1303-1314 Lipinski C, Hopkins A: Navigating chemical space for biology and medicine Nature 2004, 432:855-861 O'Connor KA, Roth BL: Finding new tricks for...
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In silico methodologies for selection and prioritization of compounds in drug discovery
... COMPUTATIONAL METHODS IN DRUG DISCOVERY INTRODUCTION Figure 1.1 Stages of drug discovery and development Before work is started to discover any potential new medicine for a specific disease, scientists ... be applied for the selection and prioritization of compounds in drug discovery The research work has been allocated into four parts, each catering to a different stage of the drug discovery process ... would in turn expedite the discovery of lead compounds in drug discovery projects The computational workflow to be formulated requires a benchmark method that can be used for comparison The possibility...
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Development of database and computational methods for disease detection and drug discovery
... 1.2 Bioinformatics and cheminformatics in drug discovery 1.3 Introduction of bioinformatics and cheminformatics database development 11 1.4 Overview of virtual screening in drug discovery ... accelerate drug discovery by systematically managing and providing medicinal chemicals and biomolecules information with a web accessible interface This information is a useful resource for further drug ... comprehensive information about the primary targets and drug of the approved, clinical trial, and experimental drugs These database lead to a better understanding of the disease and benefit for drug discovery...
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Pharmacokinetics pharmacodynamics driven approach for lead optimization in anti mycobacterial and anti malarial drug discovery
... 1.2.1 Discovery of anti-mycobacterial drugs 1.2.2 Ideal drug candidates 1.2.3 Drug development pipeline 1.2.4 Combination therapy 1.2.5 Challenges in TB drug discovery ... of drug discovery and development of treatment regimens for TB Reprinted from Ma et al (2010), with permission from Elsevier Figure Global tuberculosis drug pipeline With permission of Oxford ... and night sweats Treatment for active, drug- sensitive TB consists of medicines known as first-line drugs and is administered for a period of months [a combination of drugs (rifampicin, isoniazid,...
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Implementation of a drug discovery tool for the evaluation of anti fibrotic compounds application in fibrovascular disorders
... of additional substance such as drugs (Shappell, 2003) Therefore, metabolic-based cell viability assay may not be suitable for the drug discovery tool since the drug tested may cause alteration ... as a building block of a discovery tool for anti-fibrotic drugs Graduate Program in Bioengineering vi List of Tables List of Tables Table 3.1 The filter configurations for Olympus IX-71 fluorescence ... fibroblasts Therefore, the assessment of anti-fibrotic drugs usually employs fibroblast culture to determine the effect of the drug on the cell proliferation and collagen deposition Unfortunately,...
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Human embryonic stem cells as a cellular model for osteogenesis in implant testing and drug discovery
... their function In sum, either as a model for drug discovery or implant testing, hESCs are able to perform as well or even better than the cell lines used for majority of the studies ix List of ... treatment for 5mins before manual scrapping to smaller cell aggregate clumps using serological pipettes Clumps of cells were collected and centrifuged at 200g for 5mins before seeding for further ... far early from practice This study aims to open the horizon for the use of hESCs as a cellular model for implant testing and drug discovery along its differentiation process toward osteogenic...
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A potential target for tuberculosis drug discovery
... and drug interactions To add on to the list is the emerging drug resistance that further complicates the disease management The urgent need for new antiTB drugs drives the search for novel drug ... cause of TB drug- resistant Despite being treatable, drugresistant TB requires extensive chemotherapy with second line anti-TB drugs which are more costly and produce more severe adverse drug reactions ... there is a great demand for new drugs to combat TB Introduction The Global Alliance for TB Drug Development (http://www.tballiance.org) recommends that an ideal new TB drug should shorten the duration...
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Tài liệu Báo cáo khoa học: "Exploiting Structure for Event Discovery Using the MDI Algorithm" doc
... of the event, and represent the extracted information into a structured form (Grishman, 1997) The types of events to extract are known in advance For example, “Attack” and “Death” are possible ... sentences and finally represent the extracted information of the event in a structured form Particularly, in this paper we focus on clustering methods for grouping sentences in an article that discuss ... nonetheless are useful for producing tentative conclusions To determine why the annotators were having difficulty agreeing, we calculated the kappa score for each category For the “N”, “C” and “X”...
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LTE SELF-ORGANISING NETWORKS (SON): NETWORK MANAGEMENT AUTOMATION FOR OPERATIONAL EFFICIENCY docx
... Chichester, West Sussex, PO19 8SQ, United Kingdom For details of our global editorial offices, for customer services and for information about how to apply for permission to reuse the copyright material ... relevant use cases for the automation of operational tasks: typically, those tasks that require significant manual effort, or tasks that are highly complex in nature, and are therefore prone to error ... The industry-wide effort to make SON happen has been clearly the basis for this book We welcome any proposals and suggestions for improvements of the contents of the book in forthcoming editions...
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Báo cáo khoa học: "FOR A DISCOVERY PROCEDURE CERTAIN PHONOLOGICAL RULES" potx
... n g forms that can pr(,duee the given surface fort,is As before I ass,lnle thal the data is in the form of sets of paradigms I also assunu, that for e~er) ruh, ctlanging an a to a b an aheri,aiion ... m p a r i n g surface forms s e g m e n t by segment Thus in this discovery procedure the algorithm for identifying possible alternates can be of a particularly simple form If we are willing ... clusters, a fact which m i g h t be accounted for in two ways; either with a rule t h a t inserts e before word initial sC clusters, or by a constraint on well-formed underlying s t r u c t u r e s (a...
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DRUG DISCOVERY docx
... attention must be paid to food -drug interactions (Figure 2) Figure Bioassay models for studying drug- phytochemical interaction Drug Discovery There are four types of accepted drug- food interactions based ... addition, 17 18 Drug Discovery polyphenols have been shown to interact with ABC drug transporters involved in drug re‐ sistance and drug absorption, distribution and excretion [32] Drug- food interaction ... anticancer drugs are investigated at the molecular level thus methods of drug discovery have changed diametrically The dominant direction of contemporary aniticancer drug discovery is the search for...
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fragment based drug discovery and x-ray crystallography
... efficiency indices as guideposts for drug discovery Drug Discov Today 10:464–469 82 Bembenek SD, Tounge BA, Reynolds CH (2009) Ligand efficiency and fragment-based drug discovery Drug Discov Today 14:278–283 ... Introduction to Fragment-Based Drug Discovery Daniel A Erlanson Abstract Fragment-based drug discovery (FBDD) has emerged in the past decade as a powerful tool for discovering drug leads The approach ... “fragment-assisted drug discovery, ” in which information from fragments is applied to more traditional drug discovery programs [12] In addition to covering chemical space more efficiently, the hit rate for screening...
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nanoparticle technology for drug delivery, 2006, p.427
... Supercritical Solution for Particle Formation 59 RESS with Solid Cosolvent for Nanoparticle Formation 63 Supercritical Antisolvent Process for Particle Formation 66 SAS with Enhanced ... experience force in the magnetic field Such materials are useful for targeted delivery of drugs and heat For example, interaction of electromagnetic pulses with nanoparticles can be utilized for enhancement ... to more or less any drug material In general, even highly water-sensitive drugs can be reduced to drug nanocrystals, even stored in the form of an aqueous nanosuspension (drug nanocrystals dispersed...
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Báo cáo sinh học: " Research Article A New-Fangled FES-k -Means Clustering Algorithm for Disease Discovery and Visual Analytics" pdf
... 4(b)) For the trained data, the spatial distribution for each of the clusters is more scattered than is the spatial distribution for the clusters of the actual data Using less data points for the ... clusters formed via one cluster performance are not necessarily the same clusters formed on processes thereafter, focusing on an algorithm that can return identical cluster structures for each ... dataset were used for performance evaluation of the method The data distribution is illustrated in Figure The real datasets were (1) georeferenced physician-diagnosed adult asthma data for Buffalo,...
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