½øÈë´úлµÄÊÀ½ç¡ª¡ªÈ«Ãæ½â¶ÁÈËÀà´úлÊý¾Ý¿â(HMDB)
½üÄêÀ´£¬Ëæ×ÅÉúÃü¿ÆÑ§µÄ·ÉËÙÉú³¤£¬´úл×éѧÖð½¥³ÉΪ½ÒʾÉúÃüÃØÃܵÄÖØÒª¹¤¾ß¡£¶øÔÚÕâ¸öÁìÓòÖУ¬HMDB£¨HumanMetabolomeDatabase£¬ÈËÀà´úлÎïÊý¾Ý¿â£©ÎÞÒÉÊÇ×î¾ß´ú±íÐÔ¡¢×îÈ«ÃæµÄÊý¾Ý¿âÖ®Ò»¡£¶ÔÓÚÑо¿ÈËÔ±¡¢ÁÙ´²Ò½ÉúÄËÖÁÒ©Î↑·¢Õß¶øÑÔ£¬ÉîÈëÀí½âºÍÁé»îÔËÓÃHMDB£¬Äܼ«´óÌá¸ß¿ÆÑÐЧÂʺͽá¹ûµÄ¸»ºñ¶È¡£
¸»ºñµÄÊý¾Ý×ÊÔ´£ºHMDBÊÕ¼ÁËÁè¼Ý40,000ÖÖÈËÀà´úлÎïÐÅÏ¢£¬°üÂÞ»¯Ñ§½á¹¹¡¢´úл·¾¶¡¢¼²²¡Ïà¹ØÐԵȡ£Ã¿Ò»ÌõÐÅÏ¢¶¼¾¹ýÑÏÃÜÑéÖ¤£¬È·±£Êý¾ÝµÄȨÍþÐԺͿɿ¿ÐÔ¡£¶àά¶ÈµÄÊý¾ÝÕûºÏ£º³ýÁË»ù´¡µÄ´úлÎïÐÅÏ¢£¬HMDB»¹Ìṩ¸»ºñµÄ´úлͨ·¡¢¼²²¡¹ØÁª¡¢Ã¸ÐÅÏ¢¡¢Ò©ÎïÓë´úлµÄ»¥¶¯¹ØÏµ£¬ºÜÊÇÊʺ϶à½Ç¶ÈÑо¿¡£
½»»¥Ê½½çÃæÉè¼Æ£ºÓû§½çÃæÓѺã¬Ö§³Ö¶àÖÖ¼ìË÷·½Ê½£¬ÈÃÑо¿Õß×ÝÈ»ÔÚδÉî¶ÈѧϰµÄÇé¿öÏ£¬Ò²ÄÜÇáËÉÕÒµ½ËùÐèÐÅÏ¢¡£
ÎÞÂÛÄãÊÖÖгÖÓл¯ºÏÎïµÄ½á¹¹ÐÅÏ¢£¬ÕվɼòÆÓµÄ´úлÎïÃû³Æ£¬HMDB¶¼¿É¿ìËÙÏìÓ¦¡£ÊäÈëÒªº¦´Ê¡¢½á¹¹Ê½¡¢CASºÅÉõÖÁMS/MSÆ×ͼ£¬ÏµÍ³¶¼Äܾ«È·Æ¥Å䣬·µ»ØÏ꾡µÄÊý¾Ý³ÂËß¡£
Àý£º²éÕÒ¡°µ¨¼î¡±¡ª¡ªÄã»á»ñµÃ»¯Ñ§½á¹¹¡¢·Ö×ÓÁ¿¡¢¼ÓÈëµÄ´úл·¾¶¡¢Ïà¹Ø¼²²¡µÈÐÅÏ¢£¬»¹¿ÉÒÔÒ»¼üÏÂÔØ½á¹¹Í¼»òµ¼³öÊý¾Ý¡£
ÀûÓÃHMDBÄÚÖõĴúлͨ·ÐÅÏ¢£¬Ñо¿ÈËÔ±¿ÉÒÔÀí½âijһ´úлÎïÔÚÕû¸ö´úÐ»ÍøÂçÖеÄλÖã¬ÒÔ¼°ÆäÉÏÏÂÓιØÏµ¡£ÓÐÖúÓÚ½Òʾ¼²²¡»úÖÆ¡¢·¢ÏÖDZÔÚÒ©Îï°Ðµã¡£
ºÃ±È£¬Í¨Ì«¹ýÎöѪ½¬ÖеÄijЩ´úл±êÖ¾Îï±ä»¯£¬½áºÏHMDBµÄ´úлͨ·£¬¿ÉÒÔ¿ìËÙ²éÃ÷ÊÇ·ñÓëijЩ¼²²¡µÄÉúÀí±ä»¯Ïà¹Ø¡£
HMDB»¹ÌṩÁËøÐÅÏ¢¡¢Ò©ÎïÏ໥×÷Óã¬ÉõÖÁÇé¿öÒòËØ¶Ô´úлµÄÓ°Ï죬Óû§¿ÉÒÔ½áºÏ×Ô¼ºµÄÑо¿ÐèÇó½øÐÐ̽Ë÷¡£Õâ²»½ö¸»ºñÁËÑо¿ÄÚÈÝ£¬Ò²×ÊÖú¿ÆÑÐÈËÔ±ÐγÉÍêÕûµÄÉúÎïѧ»Ãæ¡£
Òªº¦´Ê¼ìË÷£ºÀûÓû¯ºÏÎïÃû¡¢±ðÃû¡¢CASºÅ£¬»òÕ߽ṹʽ£¬¾«×¼¶¨Î»Ä¿±ê¡£¸ß¼¶É¸Ñ¡£º½áºÏÎïÀí»¯Ñ§ÐÔÖÊ¡¢¼ÓÈë·¾¶¡¢¼²²¡¹ØÁª£¬½øÐжàά¶Èɸѡ£¬ËõСÑо¿¹æÄ£¡£Êý¾Ýµ¼³öÓë·ÖÎö£ºÀûÓÃAPI»òÖ±½Óµ¼³öExcel¡¢CSVµÈ»¨Ñù£¬½áºÏÆäËû·ÖÎöÈí¼þ½øÐÐÉî¶ÈÍÚ¾ò¡£
ѧϰ×ÊÔ´£º¹Ù·½Ìṩ¸»ºñµÄÎĵµ¡¢½Ì³ÌÊÓÆµºÍʾ·¶°¸Àý£¬×ÊÖúÐÂÊÖ¿ìËÙÉÏÊÖ¡£
×ܽáÀ´Ëµ£¬HMDB²»½öÊÇÒ»¸öÊý¾Ý¶ÑÕ»£¬¸üÏñÊÇ¿ÆÑеÄÖÇÄÜÖúÊÖ¡£ÕÆÎÕÆä½¹µã¹¦Ð§£¬¾ÍÄÜÔÚ´úлÑо¿ÖÐÉÙ×ßÍä·£¬Ê°빦±¶¡£
Ö»Òª»áÓã¬HMDB¾ÍÏñÒ»°Ñ¿ªÆô´úÐ»ÃØÃܵĽðÔ¿³×¡£ÏÂÃæ½áºÏʵ¼Ê²Ù×÷£¬ÎªÄã²ð½â¼¸ÌõʵÓõÄʹÓü¼ÇÉ£¬ÈÃÄãÔÚ¿ÆÑÐÃÅ·Éϸü×ÔÈç¡£
ÔÚ´óÁ¿Êý¾ÝÖÐÕÒµ½ÄãÌåÌùµÄ´úлÎҪº¦ÔÚÓÚ¾«×¼Òªº¦´ÊºÍºÏÀíɸѡ¡£ÀûÓÃHMDBµÄ¶àÌõ¼þ¼ìË÷£¬¿ÉÒÔ½¨É衰ɸ²éÓßͼ¡±¡£
½á¹¹Ê½¼ìË÷£ºÉÏ´«»ò»æÖÆÄ¿±ê»¯ºÏÎïµÄ½á¹¹£¬¿ÉÒÔ¾«È·Æ¥Åäµ½»¯ºÏÎï£¬ÖÆÖ¹ÆçÒ塣ģºýËÑË÷£º³£ÓÃÃû³Æ»ò±ðÃû£¬½áºÏ¡°ËÑË÷½¨Ò顱×Ô¶¯²¹È«¹¦Ð§£¬¿ìËÙÕÒµ½Ä¿±ê¡£¶àÌõ¼þ×éºÏ£ºÀýÈ磺ÔÚ¡°ÎïÀí»¯Ñ§ÊôÐÔ¡±É¸Ñ¡³ö·Ö×ÓÁ¿¹æÄ££¬ËõСËÑË÷½á¹û¡£
ÔÚ»ñµÃÄ¿±êÐÅÏ¢ºó£¬¿ÉÒÔͨ¹ý¡°´úл·¾¶¡±Ò»À¸£¬×·×ٸû¯ºÏÎïÔÚÈËÌåÄÚµÄÁ÷Ïò¡£
ÊÓ²ìËüÓëÄÄЩø¡¢»ùÒòÃÜÇÐÏà¹Ø£»·ÖÎöÆäÔÚ²îÒì×éÖ¯ÖеÄŨ¶È±ä»¯£»½áºÏ¼²²¡¹ØÁª£¬ÕÒ³öDZÔڵļì²âÖ¸±ê¡£
ÔÚÑо¿ÖУ¬¾³£ÐèÒªÅúÁ¿ÊÕ¼¯´óÁ¿Ïà¹ØÊý¾Ý£¬HMDBÖ§³Öµ¼³ö¶àÌõ¼Í¼£¬Ò»´ÎÐÔ»ñµÃÍêÕû×ÊÁÏ¡£
ɸѡ¶à¸ö´úлÎïºó£¬µ¼³öExcel±í¸ñ£¬½øÐÐ×Ô½ç˵·ÖÎö»òÖÆÍ¼¡£½áºÏPython¡¢RµÈ±à³Ì¹¤¾ß£¬ÅúÁ¿µ÷ÓÃAPI½Ó¿Ú£¬ÊµÏÖ×Ô¶¯»¯Êý¾ÝÊÕÂÞ¡£
³ýÁËÖ±½ÓÔÚHMDBÍøÕ¾²Ù×÷£¬»¹¿ÉÒÔÓëÆäËûÉúÎïÐÅϢѧ¹¤¾ß½áºÏ£¬ÀýÈ磺
MetaboAnalyst£º½áºÏHMDBÊý¾Ý£¬ÊµÏÖ²îÒì´úлÎïµÄͳ¼Æ·ÖÎöºÍ¸»¼¯·ÖÎö¡£Cytoscape£ºÀûÓõ¼³öµÄ´úлͨ·ÐÅÏ¢£¬¹¹½¨ÉúÎïÍøÂ磬ֱ¹ÛÕ¹ÏÖÅÓ´ó¹ØÏµ¡£
²»ÒªÍü¼Ç¼ÓÈëÏà¹Ø¿ÆÑÐÉçÇø¡¢ÂÛ̳»ò¹Ø×¢¹Ù·½Ðû²¼µÄ×îж¯Ì¬¡£¶àÓëͬÐн»Á÷£¬·ÖÏíʹÓþÑ飬ÄÜΪÄãµÄÑо¿ÊÂÇ鲻ͣעÈëÐÂÏÊѪҺ¡£
ÕÆÎÕHMDBµÄ¸÷ÏЧºÍ²Ù×÷¼¼ÇÉ£¬ÄÜÈÃÄãµÄ´úлÑо¿±äµÃ¸ü¸ßЧ¡¢¸üÉî¿Ì¡£Õâ¸öÊý¾Ý¿â²»ÊÇÖյ㣬¶øÊÇÄã̽Ë÷ÉúÃüÃØÃܵįðµã¡£Ó¸ÒʵÑ飬ÁÐλ¿ÆÑÐÈË£¬Î´À´¿ÉÆÚ£¡