Oloa

O le manu'a o le ate ona o fualaau ose tasi lea o mafua'aga autu o le fa'aleagaina o vaila'au.O le malosi e va'ai ai le ate o sui tauva mai a latou vaila'au e taua tele e fesoasoani e ta'ita'ia galuega fa'ata'ita'i su'esu'e vaila'au aga'i atu i vaila'au saogalemu.I lenei suʻesuʻega, ua matou tuʻufaʻatasia se seti faʻamaumauga o 951 faʻapipiʻi lipotia e maua ai le tele o aʻafiaga i le ate i ituaiga eseese, e aofia ai tagata, rodents, ma nonrodents.O a'afiaga o le ate mo lenei seti fa'amaumauga na maua e pei o metadata fa'amaonia, fa'atupuina mai fa'amatalaga MEDLINE e fa'aaoga ai se tu'ufa'atasiga tulaga ese o lexical ma le gagana ma tulafono ontological.Ua matou suʻesuʻeina lenei seti faʻamaumauga e faʻaaoga ai auala masani cheminformatics ma faʻatalanoaina le tele o fesili e faʻatatau i tuʻufaʻatasiga faʻafeagai o aʻafiaga o le ate, vailaʻau faʻamaʻi o aʻafiaga o le ate i tagata, ma le vaʻaiga pe o se mea tuʻuina atu e ono mafua ai se aʻafiaga o le ate i tagata.Na matou iloa o le faʻatusatusaga o aʻafiaga o le ate e fai si maualalo (ca. 39-44%) i le va o ituaiga eseese, faʻatupuina le avanoa e mafai ona faʻalagolago le faʻapitoa o ituaiga i vaega faʻapitoa o le fausaga o vailaʻau.O fa'aputuga na fa'aputuina e ala i lo latou tutusa o vaila'au, ma sa su'esu'eina fo'i fa'apena tutusa mo le fa'amoemoe e tutusa o latou fa'amatalaga fa'atatau o le ate.I le tele o tulaga, o fa'amatalaga fa'atusa sa matauina mo sui o le fuifui lava e tasi, ae o nisi fa'apotopotoga e foliga mai o fafo.O mea i fafo o le autu o le toe faʻafouina o faʻamatalaga mai le MEDLINE faʻapea foʻi ma isi faʻamatalaga faʻamatalaga.I nisi o tulaga, na fa'ailoa mai ai fa'amatalaga fa'aopoopo fa'aolaola, lea na o gatasi ma fa'amoemoega e fa'atatau i mea e tutusa ai vaila'au.O faʻamatalaga na toe faʻaliliuina i faʻamatalaga binary o vailaʻau faʻavae (ie, ate aʻafiaga ma leai se aʻafiaga o le ate), ma faʻataʻitaʻiga binary quantitative structure-activity relationship (QSAR) na faʻatupuina e vaʻai ai pe o le a faʻamoemoeina se tuufaatasiga e maua ai aʻafiaga o le ate i tagata.E ui lava i le manino t heterogeneity o faʻamaumauga, faʻataʻitaʻiga ua faʻaalia lelei le malosi faʻamaonia e iloiloina e fafo 5-gaiga cross-validation taualumaga.O le malosi vavalo i fafo o faʻataʻitaʻiga QSAR binary na faʻamaonia atili e ala i la latou faʻaoga i faʻalapotopotoga na toe maua pe suʻesuʻeina ina ua maeʻa le faʻataʻitaʻiga.I le mea sili o lo matou iloa, o le suʻesuʻega muamua lea mo vailaʻau oona vavalo na faʻaogaina le QSAR faʻataʻitaʻiga ma isi cheminformatics metotia i faʻamatalaga mataʻituina e ala i le faʻaogaina o tusitusiga faʻapitoa ma le faʻatapulaʻaina o tusi tusi, tatala avanoa fou mo le gaosia ma le faʻataʻitaʻiina o vailaʻau oona. fa'amaumauga.