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[浜ゅぇ鏅烘収] 鐢熷懡绉戝鎶鏈闄㈤瓘鍐潚璇鹃缁勫湪鍩轰簬浜哄伐鏅鸿兘鐨勮嵂鐗╁彂鐜扮殑鏂规硶鐮旂┒涓彇寰楅噸瑕佽繘灞

鍙戝竷鏃堕棿 锛2020-09-28  闃呰娆℃暟 锛3398

杩戞棩锛屽浗闄呯敓鐗╀俊鎭閲嶈鏈熷垔銆夿riefings in Bioinformatics銆嬪湪绾垮彂琛ㄤ簡涓婃捣浜ら氬ぇ瀛︾敓鍛界瀛︽妧鏈闄㈤瓘鍐潚璇鹃缁勭殑鐮旂┒鎴愭灉“DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method”銆傝璁烘枃鎻愬嚭鐨勫熀浜庣綉缁滅殑鏍囩绌洪棿鍒掑垎鐨勫鏍囩澶氬垎绫诲涔犳柟娉曚负鑽墿-闈舵爣鐩镐簰浣滅敤锛坉rug-target interaction , DTI锛夐娴嬮棶棰樻彁渚涗簡涓绉嶆柊鐨勬濊矾銆傝鏂规硶涓轰笅娓告柊鑽璁°佽佽嵂鏂扮敤鎻愪緵浜嗙悊璁哄拰瀹炶返渚濇嵁锛屽叿鏈変竴瀹氱殑鐞嗚鎰忎箟鍜岄噸瑕佸簲鐢ㄤ环鍊笺備笂娴蜂氦閫氬ぇ瀛︾敓鍛界瀛︽妧鏈闄“鑷磋繙鑽h獕璁″垝”鍗氬+鐢熻鏅忎紛涓虹涓浣滆咃紝鐢熷懡绉戝鎶鏈闄㈤暱鑱樻暀鎺堥瓘鍐潚銆佸壇鐮旂┒鍛樼唺姣呬负鍏卞悓閫氳浣滆咃紝鍔犳嬁澶х殗瀹跺浼氶櫌澹佺編鍥紸AAS闄㈠+銆佸姞鎷垮ぇ鍗″皵鍔犻噷澶у鏁欐巿Dennis Russell Salahub涓鸿鏂囧悎浣滆呫

鑽墿鍙戠幇鏄瘑鍒叿鏈夋綔鍦ㄦ不鐤椾綔鐢ㄧ殑鏂板欓夊寲鍚堢墿鐨勮繃绋嬶紝鍦ㄦ杩囩▼涓紝棰勬祴鑽墿-闈舵爣鐩镐簰浣滅敤鐮旂┒鏄竴涓繀涓嶅彲灏戠殑姝ラ銆傝泲鐧借川鏄噸瑕佺殑鑽墿闈舵爣锛岃嵂鐗╅氳繃涓庡悇绉嶉澏鏍囩浉浜掍綔鐢ㄥ湪浜轰綋涓彂鎸ラ噸瑕佷綔鐢紝鍙互澧炲己鎴栨姂鍒跺叾鍔熻兘锛屽彂鎸ヨ皟鎺т綔鐢ㄤ互杈惧埌娌荤枟鏌愪竴绉嶇柧鐥呯洰鐨勩鍥犳锛岃瘑鍒獶TIs鍙互甯姪鐞嗚В鑽墿鐨勪綔鐢ㄦ満鍒讹紝瀵规柊闈剁偣鐨勫彂鐜般佽嵂鐗╃殑閲嶅畾浣嶇瓑鏈夌潃鑷冲叧閲嶈鐨勪綔鐢銆傛澶栵紝鐢变簬DTI鐨勫疄楠岀‘瀹氭棦鑰楁椂鍙堣楄垂璧勬簮锛岀幇鏈夌殑鏂规硶鍜屽伐鍏疯繕鏈夎澶氱己闄峰拰涓嶈冻锛屽洜姝ら潪甯搁渶瑕佸紑鍙戦珮鏁堢殑璁$畻鏂规硶锛屼互鍏呭垎鍒╃敤宸茬煡DTI鐨勫紓璐ㄧ敓鐗╁鏁版嵁鏉ュ帢娓呰嵂鐗╁湪浜轰綋涓殑浣滅敤鏈虹悊銆傚湪杩囧幓鐨勫嚑鍗佸勾涓紝宸茬粡寮鍙戝嚭璁稿鐢ㄤ簬棰勬祴DTI鐨勮绠楁柟娉曪紝浣嗘槸灏氬瓨鍦ㄧ簿搴︿綆銆佸亣闃虫ч珮绛夐棶棰樸

鍥1. DTI棰勬祴鏂规硶绠瑕佸垎绫

鍦―TI棰勬祴闂涓婏紝榄忓啲闈掕棰樼粍浜2019骞12鏈堟浘鍦ㄣ夿riefings in Bioinformatics銆嬪湪绾垮彂琛ㄤ簡“DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features”锛 https://doi.org/10.1093/bib/bbz152锛夛紝鍙戝睍浜嗘繁搴︾骇鑱旀.鏋楃殑浜哄伐鏅鸿兘鏂规硶DTI-CDF锛堝浘2锛夛紝鍦ㄥ皬鏍锋湰閲忔暟鎹殑鎯呭喌涓嬪彲鑾峰緱鎬ц兘濯茬編鎴栦紭浜庢繁搴﹀涔犵殑缁撴灉銆傞殢鍚庯紝杩涗竴姝ユ彁鍑轰簡澶氭爣绛惧垎绫绘鏋禗TI-MLCD锛堝浘3锛夛紝閬垮厤浜嗗啑浣欑壒寰佺┖闂村拰楂樼壒寰佺淮搴﹀鑷寸殑杩囨嫙鍚堢瓑闂锛屽苟涓斿彲浠ヤ竴娆¢娴嬭嵂鐗╂垨闈舵爣鐨勪竴绯诲垪鐩镐簰浣滅敤銆傛澶栵紝榄忓啲闈掕棰樼粍鏇存柊浜2008骞村缓绔嬬殑閲戞爣鍑嗘暟鎹泦锛屽皢鏁版嵁閲忓鍔犱簡3鍊嶏紝骞跺叕寮浜嗘暟鎹泦鏇存柊鐨勪唬鐮侊紝浠ヤ究浜庡叾浠栫鐮斾汉鍛橀殢鏃舵洿鏂帮紝骞朵娇鐢ㄦ渶鏂颁唬鐮佽繘琛岀瀛︾爺绌躲傛渶閲嶈鐨勬槸锛屾牴鎹璇鹃缁勭爺绌跺缓绔嬬殑AI鑽墿绛涢夊钩鍙帮紝绛涢夊嚭浜嗘柊鍐犵梾姣掔殑鏈夋晥鐨勪腑鑽湁鏁堟垚鍒嗘姂鍒跺墏鍜屽鑲——浜鸿偁闃插尽绱5 (HD5)锛岃幏寰楅挓鍗楀北闄㈠+鍥㈤槦鍜屽悎浣滃崟浣嶉檰鍐涘啗鍖诲ぇ瀛︾帇鍐涘钩鍥㈤槦鐨勫疄楠岄獙璇侊紙榄忓啲闈掍负鍏卞悓閫氳浣滆呯殑璁烘枃鎴愭灉鍙戣〃鍦ㄦ秷鍖栫梾瀛﹂《绾ф湡鍒娿奊astroenterology銆嬶紝https://doi.org/10.1053/j.gastro.2020.05.015锛夈

鍥2. DTI-CDF妗嗘灦

3. DTI-MLCD妗嗘灦

鍙﹀锛屽湪闈炵紪鐮佷笌鐤剧梾鐨勭浉鍏虫ч娴嬩笂锛屽熀浜庢繁搴﹂殢鏈烘.鏋楃畻娉曞拰搴忚疮瀛︿範鐨勮繃绋嬶紝鍦ㄥ涔犲拰杩囩▼涓冭檻鏍囩涔嬮棿鐨勭浉鍏虫э紝榄忓啲闈掕棰樼粍涔熷彂灞曞苟鏋勫缓浜嗘繁搴﹂殢鏈烘.鏋楀湪澶氭爣绛鹃娴嬩腑鐨勫簲鐢ㄣ傚湪灏忔牱鏈暟鎹殑鎯呭喌涓嬶紝鑾峰緱浜嗕笌娣卞害瀛︿範鐩稿缇庣殑缁撴灉銆2020骞6鏈堬紝璇ユ垚鏋滃湪銆夿riefings in Bioinformatics銆嬪彂琛 “MLCDForest: multi-label classification with deep forest in disease prediction for long non-coding RNAs”锛 https://doi.org/10.1093/bib/bbaa104锛夈

姝ゅ锛岄娴婥YP450閰-搴曠墿閫夋嫨鎬э紙鍗充竴涓欓夎嵂鐗╁垎瀛愪細琚摢涓绉嶆垨鍝嚑绉岰YP450閰惰瘑鍒拰缁撳悎锛夊皢鑳戒績杩涘鑽墿鍒嗗瓙鐨勮嵂浠e姩鍔涘姣掔悊瀛︽ц川銆佽嵂鐗╃浉浜掍綔鐢ㄧ瓑鏂归潰鐨勭悊瑙o紝鏈缁堜篃灏嗕績杩涜嵂鐗╁彂鐜板拰寮鍙戯紝鍏锋湁閲嶈鐨勪复搴婃剰涔夈2019骞11鏈堬紝缇庡浗鍖栧瀛︿細鍑虹増鐨勩奐ournal of Chemical Information and Modeling銆嬫湡鍒婁笂杩樺嚭鐗堜簡榄忓啲闈掕棰樼粍棰樹负“Prediction of CYP450 Enzyme-Substrate Selectivity Based on the Network-Based Label Space Division Method”锛坔ttps://doi.org/10.1021/acs.jcim.9b00749锛夌殑璁烘枃锛屼负CYP450閰-搴曠墿閫夋嫨鎬ч娴嬮棶棰樻彁渚涗簡涓绉嶆柊鐨勮В鍐虫濊矾銆

璇ョ郴鍒楃爺绌惰幏寰椾簡鍥藉閲嶇偣鐮斿彂璁″垝锛2016YFA0501703锛夈佸浗瀹惰嚜鐒剁瀛﹀熀閲戦噸鐐归」鐩紙61832019锛夈侀潰涓婇」鐩紙61872094锛夈侀潚骞撮」鐩紙31601074锛夌瓑椤圭洰璧勫姪銆

璁烘枃閾炬帴锛歨ttps://doi.org/10.1093/bib/bbaa205

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