... 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 ... development and interpretation of machine learning models for drug discovery To this end, it describes the design and application of computational models for specialized use cases, such as compound ... computational models for drug discovery, and introduces chemically intuitive interpretations Thereby, we hope to contribute to further enhanced communication in interdisciplinary drug development...
Ngày tải lên: 26/11/2015, 09:59
... 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 ... have been made for drug discovery, the successful drugs did not increase significantly over the past few decades Bioinformatics and cheminformatics tools are explored to make drug research and ... risks for laboratory worker and may contribute to severe diseases or mortality 1.2 Bioinformatics and cheminformatics in drug discovery The combination of random screening and rational drug design...
Ngày tải lên: 10/09/2015, 09:04
scientific american - 2001 08 - cyber cells - simulating life for drug discovery
... 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 ... credible One of the major findings of the Human Genome Project was just how common it is for a gene to code for multiple proteins What if someone applies for a patent for a gene that expresses a particular ... HURDAL news mensional curved surface can be flattened while preserving the angular information, thereby yielding a so-called conformal map To flatten the cortex, Hurdal takes anatomical information...
Ngày tải lên: 12/05/2014, 16:09
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 ... 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 ... been the domain of force-eld methods Furthermore, QM results are increasingly being used in the development of new force elds [10,11,47] It is therefore relevant to compare the performance of some...
Ngày tải lên: 12/05/2014, 17:28
synthesis of novel heterocycles for drug discovery using radical cascade reactions
Ngày tải lên: 14/11/2014, 06:18
Chemical and pharmacological studies of ardisia elliptica antiplatelet, anticoagulant activities and multivariate data analysis for drug discovery
... natural products for treatment of different diseases For example, lipoic acid which is naturally occurring in both plants and animals, is being studied as a treatment for Alzheimer’s disease (Bonda ... 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 ... current drugs used in the treatment of such diseases, drugs like aspirin and warfarin are associated with numerous adverse effects, which will be elaborated later 1.1.1 Antiplatelet drugs Antiplatelet...
Ngày tải lên: 10/09/2015, 08:25
Engineered hepatocellular models for drug development
... differently in humans, there is the potential for human toxicity and also for drug interactions Unfortunately, many hepatocyte models were developed with only one or a few endpoints in mind For example, ... of genotype and 1.2 Need for in vitro models From these pitfalls observed with the current strategy, there is a huge unmet need for in vitro models for developing new drug entities and predictive ... cellular models for drug development The choice of the cell type to be used for drug development application depends mainly on factors such as application and cost In vitro cellular models are...
Ngày tải lên: 10/09/2015, 09:12
Human embryonic stem cells as a cellular model for osteogenesis in implant testing and drug discovery
... HUMAN EMBRYONIC STEM CELLS AS A CELLULAR MODEL FOR OSTEOGENESIS IN IMPLANT TESTING AND DRUG DISCOVERY LI MINGMING (B.Sci), NUS A THESIS SUBMITTED FOR THE DEGREE OF MASTER ... meant to obtain stable cell lines that resembles human physiology best, but also enables us to explore the specific drugs for human development and diseases 1.2 Stem cells: Often, the tissue involved ... immortal cell lines and animal models, stem cell reflects the best human physiology When used for drug testing, stem cell or its derivatives are able to reveal whether the drug is useful to restore...
Ngày tải lên: 16/10/2015, 15:38
Báo cáo khoa học: "Employing Topic Models for Pattern-based Semantic Class Discovery" doc
... also perform preprocessing (refer to Section 3.4 for details) before building topic models for CR(q), where some lowfrequency items are removed Determine the number of topics: Most topic models ... value for all different query item q, as has been done for the topic model approach For fair comparison, the same postprocessing is made for all the approaches And the same preprocessing is made for ... topic models are more suitable to be used here than in processing an ordinary document corpus 3.3 Preprocessing and Postprocessing Preprocessing is applied to CR(q) before we build topic models for...
Ngày tải lên: 08/03/2014, 00:20
Báo cáo khoa học: " New Models for Improving Supertag Disambiguation" pdf
... other kinds of models, such as m a x i m u m entropy Conclusions We have introduced two different kinds of models for the task of supertagging Contextual models show that features for accurate ... applications, such as information extraction We extend our supertagging models to perform this task in a fashion similar to that described in Srinivas (1997b) Selected models have been trained ... trigram model is outperformed by the other models We suspect that unlike the trigram model, the head model does not perform the accurate modeling of local context which is important for baseNP detection...
Ngày tải lên: 08/03/2014, 21:20
Exploring Challenges, Progress, and New Models for ENGAGING THE PUBLIC in the CLINICAL RESEARCH ENTERPRISE Clinical Research Roundtable Workshop Summary pot
... committee responsible for the report were chosen for their special competences and with regard for appropriate balance Support for this project was provided by the Agency for Health Care Research ... Fund, Centers for Disease Control and Prevention, Centers for Medicare and Medicaid Services (formerly HCFA), Department of Veterans Affairs, Doris Duke Charitable Foundation, Food and Drug Administration, ... translating existing information; the lack of basic information collected about their disease; and the lack of information about indirect costs to society of particular diseases The Alpha-1 Foundation...
Ngày tải lên: 29/03/2014, 13:20
Báo cáo hóa học: "IL-2 as a therapeutic target for the restoration of Foxp3+ regulatory T cell function in organ-specific autoimmunity: implications in pathophysiology and translation to human disease" doc
... cells: lessons from mouse models and implications for human disease Diabetes Metab Res Rev 2009, 25:208-218 52 Zheng SG, Wang J, Wang P, Gray JD, Horwitz DA: IL-2 Is Essential for TGFbeta to Convert ... responsiveness to the IL-2 can be controlled by different miRNA therefore opening new avenues for potential therapeutic targets for the prevention and treatment of autoimmune disorders IL-2 may ... in human T1 D as unequivocally as in the murine models could be attributed to the lack of specific and stable markers of human FOXP3+ Treg cells Indeed, the accurate immune monitoring of human...
Ngày tải lên: 18/06/2014, 16:20
Báo cáo hóa học: " In-body path loss models for implants in heterogeneous human tissues using implantable slot dipole conformal flexible antennas" potx
... homogeneous medium can still be used for validation and equipment testing However simulations using heterogeneous models will provide more conservative models for PL Table lists all the attenuation ... requirements for implants working at 2.45 GHz The PL model in the heterogeneous human model for the considered deep tissue implant scenarios can also be used to evaluate the performance of in-body ... Cite this article as: Kurup et al.: In-body path loss models for implants in heterogeneous human tissues using implantable slot dipole conformal flexible antennas EURASIP Journal on Wireless Communications...
Ngày tải lên: 21/06/2014, 01:20
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 ... in silico drug discovery activities against potential malarial targets Drugs against all diseases Drugs against neglected diseases Figure 1: Number of drugs developed against neglected diseases ... parasitic drug discovery differs from chronic drug discovery process (preventable diseases such as diabetes, cancer, cardiovascular diseases, respiratory diseases etc are termed as chronic diseases...
Ngày tải lên: 02/07/2014, 13:13
Báo cáo y học: "The quest for the Holy Grail: a disease-modifying osteoarthritis drug" doc
... Cell Biol 2007, 8:221-233 Pitluk Z, Khalil I: Achieving confidence in mechanism for drug discovery and development Drug Discov Today 2007, 12:924930 ... evaluation of the drug s best benefit/risk ratio must be carefully conducted It should be checked before and after launch, because unexpected side effects may occur once the drug is used in the ... surveillance is mandatory Although developing a disease- modifying anti-osteoarthritic drug that delays joint breakdown in OA appears Utopian, like the quest for the Holy Grail, it is worthwhile The...
Ngày tải lên: 09/08/2014, 10:22
Báo cáo y học: "Determining a low disease activity threshold for decision to maintain disease-modifying antirheumatic drug treatment unchanged in rheumatoid arthritis patients" docx
... F, Le Loët X, Working Group for Therapeutic Strategies for Rheumatoid Arthritis: Clinical practice format for choosing a second-line disease modifying anti-rheumatic drug in early rheumatoid arthritis ... College of Rheumatology criteria for remission was 2.66 [7] The disease activity score has been criticised for its performances in the spectrum of a low level of disease activity [11,18,19] We ... the DAS28 by 0.1 points for assessment of disease activity, by points from 10 to 50 for the ESR (mm/hour), and by point from to 28 for the number of tender joints and for the number of swollen...
Ngày tải lên: 09/08/2014, 14:22
Báo cáo y học: " MMP/TIMP expression profiles in distinct lung disease models: implications for possible future therapies" pot
... pre-clinical models of airways disease, in that the same MMPs/TIMPs were generally increased or decreased in all three models It could therefore be speculated that in a particular disease, it ... similar to that observed in human airways disease, for example, increased eosinophils in asthma, and increased neutrophils and lymphomononuclear cells in inflammatory airways diseases, such as COPD ... (0.3 mg/ml) for 30 minutes, as outlined by [12] For time course studies, BAL fluid was obtained for analysis as described above, at various time points (1, Page of 15 (page number not for citation...
Ngày tải lên: 12/08/2014, 14:20
Báo cáo y học: " New approaches to the modulation of inflammatory processes in airway disease models" pdf
... of effort is going into research on the inflammatory aspects of diseases of the airways and that the greater part of that effort may now be directed towards potential treatments for COPD New animal ... inhibitor, SB 239063 The data support the use of this type of compound for the future treatment of inflammatory lung diseases such as COPD New treatments Corticosteroids Two posters, which generated a ... COPD New animal models, which may be of great benefit to study the mechanisms involved in the development of COPD, were described Many of the major drug companies are looking for compounds that...
Ngày tải lên: 12/08/2014, 18:20
Báo cáo y học: " The utilization of humanized mouse models for the study of human retroviral infections" docx
... studies More generally, the humanized small animal model can benefit research in other human diseases such as cancers Humanized mice and co-infection models The humanized mouse models described above ... old animals can form 30% human cells, and two-week old animals can form 10% human cells at weeks post implantation [116,124] The preference for using neonates when reconstituting human cells is ... IL2rgamma(null) (NOG) mice more appropriate for humanized mouse models Curr Top Microbiol Immunol 2008, 324:53-76 Pearson T, Greiner DL, Shultz LD: Humanized SCID mouse models for biomedical research Curr Top...
Ngày tải lên: 12/08/2014, 23:22
Báo cáo y học: "Discovery of a new human T-cell lymphotropic virus (HTLV-3) in Central Africa" potx
... Their intermixing has therefore been inferred as an evidence for past or recent interspecies transmission episodes The hypothesis of viral transmission from monkeys to humans is supported by an ... STLV-3 strains have been isolated from several non -human primates (NHPs) species living in this region [3,4,8] We therefore conducted a study to search for HTLV variants in Cameroonian individuals ... local authorities (village chief) with information to each participant An oral informed consent was obtained from each participant (adults or parents for minors) A series of 240 blood samples...
Ngày tải lên: 13/08/2014, 09:21