I-AI ekutholeni izidakamizwa
I-AI ekutholeni izidakamizwa isebenzisa ukufunda komshini ukubikezela ukuziphatha kwamangqamuzana, ukuklama izinhlanganisela ezintsha, nokunciphisa iminyaka nezigidigidi ngokuvamile ezidingekayo ukuze kutholwe umuthi osebenzayo.
Uhlolojikelele
It is reshaping the slowest, riskiest part of pharma.
I-Deep Dive
Ukuletha umuthi emakethe ngokwesiko kuthatha iminyaka eyi-10 kuye kweyi-15 nangaphezulu kwesigidigidi samadola, futhi iningi labantu lihluleka. I-AI ihlasela izithiyo eziningi. Ekuhlonzweni okuqondiwe, amamodeli amba i-genomics nedatha yamaprotheni ukuze athole amaprotheni axhunywe nesifo afanele ukudakwa. Ekutholakaleni okushisayo, amamodeli akhiqizayo aphakamisa ama-molecule anoveli anezinto ezifiselekayo, kuyilapho ukuhlolwa okubonakalayo kulinganisa izigidi zezinhlanganisela ngaphandle kokuhlanganiswa kwelebhu. I-DeepMind's AlphaFold ibikezele izakhiwo ze-3D zamaprotheni angaphezu kwezigidi ezingu-200, yanikeza abacwaningi amapulani ayedinga iminyaka ye-crystallography. Izinkampani ezifana ne-Insilico Medicine kanye ne-Recursion zisebenzisa ama-molecule enziwe i-AI manje ezivivinyweni zabantu. I-AI iphinda ibikezele ubuthi kanye ne-ADME (ukumuncwa, ukusatshalaliswa, i-metabolism, ukukhishwa) kusenesikhathi, ibulale abantu ababi ngaphambi kokuhlolwa okumba eqolo.
I-Technical Insight
Amamolekyuli avamise ukumelelwa njengamagrafu (ama-athomu njengama-node, amabhondi njengamaphethelo) futhi acutshungulwe amanethiwekhi e-neural egrafu, noma njengezintambo zombhalo ezibizwa ngokuthi SMILES aphakelwa amamodeli alandelanayo. Izindlela ezikhiqizayo ezifana nama-autoencoder ahlukahlukene kanye namamodeli okusabalalisa isampula yezakhiwo ezintsha endaweni yamakhemikhali efundiwe, elungiselela ukuhlangana okubophezelayo nokufana nezidakamizwa. I-AlphaFold isebenzisa ukufunda okujulile okusekelwe ekunakekelweni okuqeqeshwe ku-Protein Data Bank ukuze ibikezele ukuthi amaketango e-amino-acid agoqeka kanjani abe yizimo ze-3D ezinquma ukusebenza.
I-Strategic Impact
Context and rules
Umongo womkhakha unquma ukuthi imibono ye-AI iyasinda yini ekuxhumaneni neqiniso.
Ukulawulwa kwekhwalithi
Imikhawulo yesizinda ithonya izilinganiso zamaphutha ezamukelekayo namamodeli wokugada.
Yakha ukukhetha
Ukuthunyelwa okuphumelelayo kuqondanisa amandla obuchwepheshe nokugeleza komsebenzi okuphambili.
Ikusasa le-AI ekutholakaleni kwezidakamizwa
Umngcele unamalebhu avaliwe, azishayelayo lapho i-AI iphakamisa ama-molecule, amarobhothi ahlanganisa futhi awahlole, futhi imiphumela iphinda iqeqeshe imodeli phakathi nezinsuku. Lindela ikhemistri ekhiqizayo elungiswe yimpendulo yelebhu, amasosha omzimba adizayinelwe yi-AI kanye nokwelapha kwe-RNA, namamodeli ayisisekelo aqeqeshwe kuyo yonke isayensi yezinto eziphilayo. Abalawuli babhala isiqondiso samakhandidethi asuselwa ku-AI. Ukuhlola okunzima kuhlala kuyisivivinyo somtholampilo, lapho ubunkimbinkimbi bebhayoloji busathobisa ukubikezela, ngakho-ke ukuwina okukhulu kwe-AI okuseduze kakhulu kuyashesha, kushibhile, nezinqumo zangaphambi komtholampilo ezihlakaniphile.
Ukuqaliswa Komhlaba Wangempela
Isizindalwazi esivulekile se-AlphaFold sivumela abacwaningi emhlabeni wonke ukuthi babheke izakhiwo ezibikezelwe ze-3D zamaphrotheni ukuze ziqondise ukwakhiwa kwezidakamizwa.
I-Insilico Medicine ithuthukise umuthi otholwe yi-AI we-idiopathic pulmonary fibrosis ekuhlolweni komtholampilo kwabantu.
Amaqembu e-Pharma asebenzisa ukuhlola okubonakalayo ukuze alinganisele izigidi zama-molecule ekhandidethi, ahlola kuphela athembisa kakhulu elebhu.
Amamodeli wobuthi be-AI abikezela ukuthi umuntu ozongenela ukhetho uzolimaza isibindi noma inhliziyo, aqede inhlanganisela eyingozi ngaphambi kokuhlolwa kwezilwane.
Izingozi & Guardrails
Izidingo zokulawula zingenza ama-prototypes aqine ngenye indlela.
Idatha yomlando ingase ihlanganise ukuchema okulimaza imiphakathi ethile.
Izinhlelo zefa zingakha izithiyo zokuhlanganisa kanye nezindleko ezifihliwe.
Ukuqalisa Umhlahlandlela
Bandakanya ochwepheshe besizinda kusukela ekufakeni inkinga kuye ekuhlolweni.
Dizayina izindlela zokuhlola kanye nemibhalo ngaphambi kokwethulwa.
Qinisekisa ukuthobela imithetho nokuphepha kusenesikhathi.
Khipha ngezigaba ngemibandela yokumisa ecacile neyokubuyisela emuva.
Qhubeka Uhlole
Free newsletter
Get the daily AI briefing
Three verified AI stories every weekday morning, written in plain English. Free forever, no ads.
One email each weekday. Unsubscribe in one click. We never sell or share your address.
Test yourself
Take the AI in Drug Discovery quiz
Instant feedback on every answer, and a shareable certificate with a verifiable ID once you pass a course.
Support free AI education. AI Understanding is a 501(c)(3) nonprofit — no ads, no paywall, ever. Make a donation
Umhlahlandlela olandelayo
I-Isomorphic Labs Drug Discovery
Imibuzo evame ukubuzwa
What is AI in Drug Discovery?
I-AI ekutholeni izidakamizwa isebenzisa ukufunda komshini ukubikezela ukuziphatha kwamangqamuzana, ukuklama izinhlanganisela ezintsha, nokunciphisa iminyaka nezigidigidi ngokuvamile ezidingekayo ukuze kutholwe umuthi osebenzayo. Ilungisa kabusha ingxenye yekhemisi enensa kakhulu, neyingozi kakhulu.
Yini eyafezwa yi-DeepMind's AlphaFold ekutholakaleni kwezidakamizwa?
I-AlphaFold isebenzise ukufunda okujulile ukuze ibikezele izakhiwo ze-3D zamaprotheni esikalini, inikeze abacwaningi amapulani esakhiwo ngaphambilini athatha iminyaka yokuhlola.
Ama-molecule avame ukumelwa kanjani kumamodeli okufunda omshini?
Amangqamuzana angamagrafu ngokwemvelo (ama-athomu = ama-node, amabhondi = imiphetho) acutshungulwa amanethiwekhi e-neural egrafu, noma afakwe ikhodi njengeyunithi yezinhlamvu ethi SMILES yamamodeli alandelanayo.
Kuyini 'ukuhlolwa okubonakalayo' ekutholweni kwezidakamizwa ze-AI?
Ukuhlola okubonakalayo kusebenzisa amamodeli ukuthola amalabhulali amakhulu ama-molecule aku-silico, ngakho-ke amakhandidethi aphezulu kuphela enziwa futhi ahlolwe elebhu.
Kungani ukubikezela i-ADME nobuthi kusenesikhathi kubaluleke kangaka?
Ukubikezela kusenesikhathi kokumuncwa, i-metabolism, kanye nobuthi kubulala abantu ababi ngaphambi kokuhlolwa kwezilwane nezindleko zabantu, konga isikhathi nemali.
Imaphi amasu okukhiqiza e-AI asetshenziselwa ukuklama ama-molecule anoveli?
Amamodeli akhiqizayo njengama-VAE namamodeli okusabalalisa ayisampula yezakhiwo ezintsha ezivela endaweni yamakhemikhali efundiwe, elungiselela izakhiwo ezifiselekayo.