AMIA Annu Symp Proc - Graph-based methods for discovery browsing with semantic predications.

Tópicos

{ compound(1573) activ(1297) structur(1058) }
{ structur(1116) can(940) graph(676) }
{ framework(1458) process(801) describ(734) }
{ can(774) often(719) complex(702) }
{ surgeri(1148) surgic(1085) robot(1054) }
{ research(1085) discuss(1038) issu(1018) }
{ imag(1947) propos(1133) code(1026) }
{ concept(1167) ontolog(924) domain(897) }
{ case(1353) use(1143) diagnosi(1136) }
{ design(1359) user(1324) use(1319) }
{ general(901) number(790) one(736) }
{ search(2224) databas(1162) retriev(909) }
{ howev(809) still(633) remain(590) }
{ import(1318) role(1303) understand(862) }
{ gene(2352) biolog(1181) express(1162) }
{ analysi(2126) use(1163) compon(1037) }
{ drug(1928) target(777) effect(648) }
{ data(1737) use(1416) pattern(1282) }
{ system(1976) rule(880) can(841) }
{ imag(2830) propos(1344) filter(1198) }
{ treatment(1704) effect(941) patient(846) }
{ chang(1828) time(1643) increas(1301) }
{ control(1307) perform(991) simul(935) }
{ care(1570) inform(1187) nurs(1089) }
{ risk(3053) factor(974) diseas(938) }
{ model(2341) predict(2261) use(1141) }
{ perform(1367) use(1326) method(1137) }
{ blood(1257) pressur(1144) flow(957) }
{ ehr(2073) health(1662) electron(1139) }
{ sampl(1606) size(1419) use(1276) }
{ cancer(2502) breast(956) screen(824) }
{ estim(2440) model(1874) function(577) }
{ model(3404) distribut(989) bayesian(671) }
{ inform(2794) health(2639) internet(1427) }
{ measur(2081) correl(1212) valu(896) }
{ imag(1057) registr(996) error(939) }
{ bind(1733) structur(1185) ligand(1036) }
{ sequenc(1873) structur(1644) protein(1328) }
{ method(1219) similar(1157) match(930) }
{ featur(3375) classif(2383) classifi(1994) }
{ network(2748) neural(1063) input(814) }
{ imag(2675) segment(2577) method(1081) }
{ patient(2315) diseas(1263) diabet(1191) }
{ take(945) account(800) differ(722) }
{ studi(2440) review(1878) systemat(933) }
{ motion(1329) object(1292) video(1091) }
{ assess(1506) score(1403) qualiti(1306) }
{ problem(2511) optim(1539) algorithm(950) }
{ error(1145) method(1030) estim(1020) }
{ learn(2355) train(1041) set(1003) }
{ clinic(1479) use(1117) guidelin(835) }
{ algorithm(1844) comput(1787) effici(935) }
{ extract(1171) text(1153) clinic(932) }
{ method(1557) propos(1049) approach(1037) }
{ data(1714) softwar(1251) tool(1186) }
{ model(2220) cell(1177) simul(1124) }
{ method(984) reconstruct(947) comput(926) }
{ featur(1941) imag(1645) propos(1176) }
{ data(3963) clinic(1234) research(1004) }
{ studi(1410) differ(1259) use(1210) }
{ perform(999) metric(946) measur(919) }
{ system(1050) medic(1026) inform(1018) }
{ visual(1396) interact(850) tool(830) }
{ studi(1119) effect(1106) posit(819) }
{ spatial(1525) area(1432) region(1030) }
{ record(1888) medic(1808) patient(1693) }
{ health(3367) inform(1360) care(1135) }
{ model(3480) simul(1196) paramet(876) }
{ monitor(1329) mobil(1314) devic(1160) }
{ state(1844) use(1261) util(961) }
{ research(1218) medic(880) student(794) }
{ patient(2837) hospit(1953) medic(668) }
{ model(2656) set(1616) predict(1553) }
{ data(2317) use(1299) case(1017) }
{ age(1611) year(1155) adult(843) }
{ medic(1828) order(1363) alert(1069) }
{ signal(2180) analysi(812) frequenc(800) }
{ cost(1906) reduc(1198) effect(832) }
{ group(2977) signific(1463) compar(1072) }
{ data(3008) multipl(1320) sourc(1022) }
{ first(2504) two(1366) second(1323) }
{ intervent(3218) particip(2042) group(1664) }
{ activ(1138) subject(705) human(624) }
{ time(1939) patient(1703) rate(768) }
{ patient(1821) servic(1111) care(1106) }
{ use(2086) technolog(871) perceiv(783) }
{ can(981) present(881) function(850) }
{ health(1844) social(1437) communiti(874) }
{ high(1669) rate(1365) level(1280) }
{ use(976) code(926) identifi(902) }
{ use(1733) differ(960) four(931) }
{ result(1111) use(1088) new(759) }
{ implement(1333) system(1263) develop(1122) }
{ survey(1388) particip(1329) question(1065) }
{ decis(3086) make(1611) patient(1517) }
{ process(1125) use(805) approach(778) }
{ activ(1452) weight(1219) physic(1104) }
{ method(1969) cluster(1462) data(1082) }
{ method(2212) result(1239) propos(1039) }
{ detect(2391) sensit(1101) algorithm(908) }

Resumo

We present an extension to literature-based discovery that goes beyond making discoveries to a principled way of navigating through selected aspects of some biomedical domain. The method is a type of "discovery browsing" that guides the user through the research literature on a specified phenomenon. Poorly understood relationships may be explored through novel points of view, and potentially interesting relationships need not be known ahead of time. In a process of "cooperative reciprocity" the user iteratively focuses system output, thus controlling the large number of relationships often generated in literature-based discovery systems. The underlying technology exploits SemRep semantic predications represented as a graph of interconnected nodes (predication arguments) and edges (predicates). The system suggests paths in this graph, which represent chains of relationships. The methodology is illustrated with depressive disorder and focuses on the interaction of inflammation, circadian phenomena, and the neurotransmitter norepinephrine. Insight provided may contribute to enhanced understanding of the pathophysiology, treatment, and prevention of this disorder.

Resumo Limpo

present extens literaturebas discoveri goe beyond make discoveri principl way navig select aspect biomed domain method type discoveri brows guid user research literatur specifi phenomenon poor understood relationship may explor novel point view potenti interest relationship need known ahead time process cooper reciproc user iter focus system output thus control larg number relationship often generat literaturebas discoveri system under technolog exploit semrep semant predic repres graph interconnect node predic argument edg predic system suggest path graph repres chain relationship methodolog illustr depress disord focus interact inflamm circadian phenomena neurotransmitt norepinephrin insight provid may contribut enhanc understand pathophysiolog treatment prevent disord

Resumos Similares

J Chem Inf Model - Harvesting classification trees for drug discovery. ( 0,756528335034318 )
J Chem Inf Model - Addressing challenges of identifying geometrically diverse sets of crystalline porous materials. ( 0,704483326832418 )
J Chem Inf Model - Using novel descriptor accounting for ligand-receptor interactions to define and visually explore biologically relevant chemical space. ( 0,68678644151804 )
J Chem Inf Model - Characterizing the diversity and biological relevance of the MLPCN assay manifold and screening set. ( 0,683036246053141 )
J Chem Inf Model - Mining for bioactive scaffolds with scaffold networks: improved compound set enrichment from primary screening data. ( 0,674200767635442 )
J Chem Inf Model - Discovery of novel histamine H4 and serotonin transporter ligands using the topological feature tree descriptor. ( 0,671664458249743 )
J Chem Inf Model - BioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure space. ( 0,667854079831511 )
J Chem Inf Model - Efficient enumeration of stereoisomers of outerplanar chemical graphs using dynamic programming. ( 0,664731095971701 )
J Chem Inf Model - Prediction of individual compounds forming activity cliffs using emerging chemical patterns. ( 0,661853997063667 )
J Chem Inf Model - Navigating high-dimensional activity landscapes: design and application of the ligand-target differentiation map. ( 0,658472566429089 )
J Chem Inf Model - Stereo signature molecular descriptor. ( 0,649483315683266 )
J Chem Inf Model - MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. ( 0,64662613880478 )
J Chem Inf Model - Construction and use of fragment-augmented molecular Hasse diagrams. ( 0,645912299853698 )
Comput Math Methods Med - The MATCHIT automaton: exploiting compartmentalization for the synthesis of branched polymers. ( 0,632047960244001 )
J Chem Inf Model - Shaping a screening file for maximal lead discovery efficiency and effectiveness: elimination of molecular redundancy. ( 0,630137056602666 )
J Chem Inf Model - Design of multitarget activity landscapes that capture hierarchical activity cliff distributions. ( 0,629420714476801 )
J Chem Inf Model - Knowledge-based libraries for predicting the geometric preferences of druglike molecules. ( 0,62877283086648 )
J Chem Inf Model - SAR matrices: automated extraction of information-rich SAR tables from large compound data sets. ( 0,627754764231495 )
J Chem Inf Model - A multivariate chemical similarity approach to search for drugs of potential environmental concern. ( 0,623022833942338 )
J Chem Inf Model - Conditional probabilistic analysis for prediction of the activity landscape and relative compound activities. ( 0,619182321989407 )
J Chem Inf Model - Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices. ( 0,619054160896674 )
J Chem Inf Model - HELM: a hierarchical notation language for complex biomolecule structure representation. ( 0,617205904063266 )
J Chem Inf Model - Development of a rule-based method for the assessment of protein druggability. ( 0,615609192336967 )
J Chem Inf Model - The valence state combination model: a generic framework for handling tautomers and protonation states. ( 0,615018596298065 )
J Chem Inf Model - Polypharmacology directed compound data mining: identification of promiscuous chemotypes with different activity profiles and comparison to approved drugs. ( 0,614948674784834 )
J Chem Inf Model - Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches. ( 0,613317232528242 )
J Chem Inf Model - Similarity boosted quantitative structure-activity relationship--a systematic study of enhancing structural descriptors by molecular similarity. ( 0,612174448018194 )
J Chem Inf Model - Identification of multitarget activity ridges in high-dimensional bioactivity spaces. ( 0,611767325772977 )
J Chem Inf Model - Design of a three-dimensional multitarget activity landscape. ( 0,610202073617301 )
J Chem Inf Model - Combining horizontal and vertical substructure relationships in scaffold hierarchies for activity prediction. ( 0,609995218438769 )
J Chem Inf Model - Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17. ( 0,60889043014461 )
J Chem Inf Model - A searchable map of PubChem. ( 0,608160835761577 )
J Chem Inf Model - Scaffold diversity of exemplified medicinal chemistry space. ( 0,607040956706561 )
J Chem Inf Model - Automated design of realistic organometallic molecules from fragments. ( 0,605811318100791 )
J Chem Inf Model - Scanning structure-activity relationships with structure-activity similarity and related maps: from consensus activity cliffs to selectivity switches. ( 0,605594621845548 )
Comput. Biol. Med. - Automating fault tolerance in high-performance computational biological jobs using multi-agent approaches. ( 0,60497526857475 )
J Chem Inf Model - Target-independent prediction of drug synergies using only drug lipophilicity. ( 0,604773454242453 )
J Chem Inf Model - Rapid scanning structure-activity relationships in combinatorial data sets: identification of activity switches. ( 0,60465909099329 )
J Chem Inf Model - Applying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates. ( 0,603836793624382 )
J Chem Inf Model - Fragment-based lead discovery and design. ( 0,603725004274056 )
J Chem Inf Model - Scaffold-focused virtual screening: prospective application to the discovery of TTK inhibitors. ( 0,603560547328038 )
J Chem Inf Model - Searching for recursively defined generic chemical patterns in nonenumerated fragment spaces. ( 0,60171064408861 )
J Chem Inf Model - TIN-a combinatorial compound collection of synthetically feasible multicomponent synthesis products. ( 0,600771231826745 )
J Chem Inf Model - How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space. ( 0,599074315954786 )
J Chem Inf Model - MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs. ( 0,599063475625821 )
Brief. Bioinformatics - Similarity-based machine learning methods for predicting drug-target interactions: a brief review. ( 0,598741665663453 )
AMIA Annu Symp Proc - Synergism between the mapping projects from SNOMED CT to ICD-10 and ICD-10-CM. ( 0,595895533696207 )
J Chem Inf Model - Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17. ( 0,595144273045338 )
Int J Med Robot - CT-guided stereotactic targeting accuracy of osteoid osteoma. ( 0,59383486340895 )
J Chem Inf Model - Natural product-like virtual libraries: recursive atom-based enumeration. ( 0,593807964483092 )
J Chem Inf Model - In silico enzymatic synthesis of a 400,000 compound biochemical database for nontargeted metabolomics. ( 0,593661069070739 )
J Chem Inf Model - Identification of descriptors capturing compound class-specific features by mutual information analysis. ( 0,592508228167378 )
J Chem Inf Model - Revisiting the general solubility equation: in silico prediction of aqueous solubility incorporating the effect of topographical polar surface area. ( 0,592448200929605 )
J Chem Inf Model - Exploring aromatic chemical space with NEAT: novel and electronically equivalent aromatic template. ( 0,592055598059765 )
J Chem Inf Model - ColBioS-FlavRC: a collection of bioselective flavonoids and related compounds filtered from high-throughput screening outcomes. ( 0,589939233950607 )
J Chem Inf Model - SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules. ( 0,588818413210947 )
J Chem Inf Model - Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces. ( 0,588104943872617 )
J Chem Inf Model - Target family-directed exploration of scaffolds with different SAR profiles. ( 0,586160614516456 )
J Chem Inf Model - Probing the bioactivity-relevant chemical space of robust reactions and common molecular building blocks. ( 0,586144237968801 )
J Chem Inf Model - Modeling drug-induced anorexia by molecular topology. ( 0,586107237417177 )
J Chem Inf Model - Extending the activity cliff concept: structural categorization of activity cliffs and systematic identification of different types of cliffs in the ChEMBL database. ( 0,585598083430658 )
J Chem Inf Model - SAR monitoring of evolving compound data sets using activity landscapes. ( 0,583949991889704 )
J Chem Inf Model - Quantifying and assessing the effect of chemical symmetry in metabolic pathways. ( 0,583478330825815 )
J Chem Inf Model - Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening. ( 0,58281564900277 )
J Chem Inf Model - Plane of best fit: a novel method to characterize the three-dimensionality of molecules. ( 0,580787781889451 )
J Chem Inf Model - Broad coverage of commercially available lead-like screening space with fewer than 350,000 compounds. ( 0,580377111271889 )
Comput Biol Chem - A structural comparative approach to identifying novel antimalarial inhibitors. ( 0,580029416257898 )
J Chem Inf Model - Synthesis, bioassay, and molecular field topology analysis of diverse vasodilatory heterocycles. ( 0,579557077226781 )
J Chem Inf Model - G-protein coupled receptors virtual screening using genetic algorithm focused chemical space. ( 0,578856587487068 )
J Chem Inf Model - PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies. ( 0,578139798922149 )
J Chem Inf Model - Bioturbo similarity searching: combining chemical and biological similarity to discover structurally diverse bioactive molecules. ( 0,575728557534714 )
J Chem Inf Model - Structural determinants of drug partitioning in n-hexadecane/water system. ( 0,575715634290691 )
J Chem Inf Model - Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining. ( 0,574470580639052 )
J Chem Inf Model - Prediction of synthetic accessibility based on commercially available compound databases. ( 0,574444661293426 )
J Chem Inf Model - Rationalizing the role of SAR tolerance for ligand-based virtual screening. ( 0,574356913111615 )
Brief. Bioinformatics - Comprehensive overview and assessment of computational prediction of microRNA targets in animals. ( 0,573451363361352 )
J Chem Inf Model - AlzPlatform: an Alzheimer's disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research. ( 0,573191523878632 )
Curr Comput Aided Drug Des - Development of Chemical Compound Libraries for In Silico Drug Screening. ( 0,572160363677695 )
J Chem Inf Model - Beyond terrestrial biology: charting the chemical universe of a-amino acid structures. ( 0,572127257790799 )
J Chem Inf Model - Biologically relevant chemical space navigator: from patent and structure-activity relationship analysis to library acquisition and design. ( 0,571703930128108 )
J Chem Inf Model - Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptors. ( 0,571266670710935 )
J Chem Inf Model - Fighting high molecular weight in bioactive molecules with sub-pharmacophore-based virtual screening. ( 0,57063478266193 )
J Chem Inf Model - Identification of novel malarial cysteine protease inhibitors using structure-based virtual screening of a focused cysteine protease inhibitor library. ( 0,569655768998847 )
Brief. Bioinformatics - Tools for the functional interpretation of metabolomic experiments. ( 0,566462128688858 )
J Chem Inf Model - Development of a comprehensive, validated pharmacophore hypothesis for anthrax toxin lethal factor (LF) inhibitors using genetic algorithms, Pareto scoring, and structural biology. ( 0,564772622604181 )
J Chem Inf Model - Searching for substructures in fragment spaces. ( 0,564639675123067 )
J Chem Inf Model - Increasing the coverage of medicinal chemistry-relevant space in commercial fragments screening. ( 0,564274491056017 )
J Chem Inf Model - Compound optimization through data set-dependent chemical transformations. ( 0,563491505464687 )
J Chem Inf Model - Freely available conformer generation methods: how good are they? ( 0,563323551554773 )
J Chem Inf Model - New Group IV chemical motifs for improved dielectric permittivity of polyethylene. ( 0,562329781674787 )
J Chem Inf Model - Introduction of target cliffs as a concept to identify and describe complex molecular selectivity patterns. ( 0,562298938756888 )
J Chem Inf Model - Identification of a novel inhibitor of dengue virus protease through use of a virtual screening drug discovery Web portal. ( 0,561081809638679 )
J Chem Inf Model - How do 2D fingerprints detect structurally diverse active compounds? Revealing compound subset-specific fingerprint features through systematic selection. ( 0,560625323340456 )
Comput. Biol. Med. - Functional interpretation of microRNA-mRNA association in biological systems using R. ( 0,560464738827667 )
J Chem Inf Model - Discovery of new selective human aldose reductase inhibitors through virtual screening multiple binding pocket conformations. ( 0,560137101630329 )
J Chem Inf Model - Identification of novel liver X receptor activators by structure-based modeling. ( 0,559491877933083 )
J Chem Inf Model - Identification of a new class of FtsZ inhibitors by structure-based design and in vitro screening. ( 0,559272426315332 )
J Chem Inf Model - Chemical and biological properties of frequent screening hits. ( 0,559138209886609 )
J Chem Inf Model - Visualization and virtual screening of the chemical universe database GDB-17. ( 0,558871367618741 )
J Chem Inf Model - A system for encoding and searching Markush structures. ( 0,557707509866727 )