²é¿´: 581  |  »Ø¸´: 0

AС¿ÆÑÐ

гæ (СÓÐÃûÆø)

[½»Á÷] ·Ö×Ó¶Ô½Ó ÐéÄâɸѡ¸ÃÔõôѧ£¿

Ò©ÎïËĸöרÌâ
£¨CADD+AMBER+Ѧ¶¨ÚÌ+AIDD£©

רÌâÒ»£ºCADDµ°°×½á¹¹·ÖÎö¡¢ÐéÄâɸѡ¡¢·Ö×Ó¶Ô½Ó£¨µ°°×-µ°°×¡¢µ°°×-¶àëÄ£©
ÉúÎï·Ö×Ó»¥×÷»ù´¡¡¢µ°°×Êý¾Ý¿â¡¢µ°°×½á¹¹·ÖÎö¡¢Í¬Ô´½¨Ä£
¡¢Ð¡·Ö×Ó¹¹½¨¡¢Ð¡·Ö×Ó»¯ºÏÎï¿â¡¢ÉúÎï·Ö×ÓÏ໥×÷Óá¢ÐéÄâɸѡ
¡¢Ð¡·Ö×Ó¸ñʽת»»¡¢ÍØÕ¹¶Ô½ÓʹÓó¡¾°¡¢»ùÓÚËéÆ¬Ò©ÎïÉè¼Æ¡¢¹¹Ð§¹ØÏµ·ÖÎö
¡¢·Ö×Ó¶¯Á¦Ñ§Ä£Äâ

רÌâ¿Î³Ì¶þ£ºAMBER ·Ö×Ó¶¯Á¦Ñ§ÄÜÁ¿ÓÅ»¯Óë·ÖÎö¡¢½áºÏ×ÔÓÉÄܼÆËãרÌâ
·Ö×Ó¶¯Á¦Ñ§ÈëÃÅÀí/ÂÛ Ñо¿¶ÔÏóÄ£ÐÍ»ñÈ¡ ¡¢Ñо¿¶ÔÏóÄ£Ð͹¹½¨ ¡¢
·Ö×Ó¶¯Á¦Ñ§Ä£Äâ ¡¢½áºÏ×ÔÓÉÄܼÆËã¡¢¿ÉÊÓ»¯Èí¼þµÈ......

רÌâ¿Î³ÌÈý£ºÑ¦¶¨ÚÌ·Ö×Ó¶Ô½Ó¡¢Ò©Ð§ÍÅÐéÄâɸѡ¡¢3D-QSAR »¯ºÏÎï»îÐÔ·ÖÎöרÌâ
µ°°×-ÅäÌåÏ໥×÷Óá¢ÈáÐÔ¶Ô½Ó¼°»ùÓڽṹµÄÐéÄâɸѡ ¡¢»ùÓÚҩЧÍÅÐéÄâɸѡ¡¢¹¹Ð§¹ØÏµÄ£ÐÍÔ¤²â·Ö
×Ó»îÐÔ

רÌâ¿Î³ÌËÄ£ºAIDD È˹¤ÖÇÄÜ£¨»úÆ÷ѧϰÓëÉî¶Èѧϰ£©¸¨ÖúÒ©Îï·¢ÏÖרÌâ
»ùÓÚÉî¶ÈѧϰµÄÒ©Îï·¢ÏÖ
ʹÓà DNN£¬GCN£¬GAT µÈÖ÷Á÷Éî¶Èѧϰ
Ä£ÐͽøÐÐʵ²Ù µÈÄÚÈÝ......

ÏêÇéÇë¼û  ¹«ÖںŠ ¿ÆÑм¼Êõ  ÎÄÕÂ

·¢×ÔСľ³æIOS¿Í»§¶Ë
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ AС¿ÆÑÐ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +5 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 5/250 2026-03-22 16:42 by tcx007
[¿¼ÑÐ] 306Çóµ÷¼Á +5 À´ºÃÔËÀ´À´À´ 2026-03-22 5/250 2026-03-22 16:17 by BruceLiu320
[¿¼ÑÐ] ѰÕÒµ÷¼Á +4 ¾óǿâ? 2026-03-21 4/200 2026-03-22 16:14 by ľÍÐζ¶
[¿¼ÑÐ] 324Çóµ÷¼Á +6 luckyѽѽѽѼ 2026-03-20 6/300 2026-03-22 16:01 by ColorlessPI
[¿¼ÑÐ] 298Çóµ÷¼ÁÒ»Ö¾Ô¸211 +3 Éϰ¶6666@ 2026-03-20 3/150 2026-03-22 15:50 by ColorlessPI
[¿¼ÑÐ] Çóµ÷¼ÁԺУÐÅÏ¢ +6 CX 330 2026-03-21 6/300 2026-03-22 15:25 by ÎÞи¿É»÷111
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
[¿¼ÑÐ] 297Çóµ÷¼Á +3 ϲ»¶»¹ÊDz»¸ÊÐÄ 2026-03-20 3/150 2026-03-21 18:33 by ѧԱ8dgXkO
[¿¼ÑÐ] ¶þ±¾¿ç¿¼Ö£´ó²ÄÁÏ306Ó¢Ò»Êý¶þ +3 z1z2z3879 2026-03-17 3/150 2026-03-21 02:29 by JourneyLucky
[¿¼ÑÐ] 265Çóµ÷¼Á +9 ÁºÁºÐ£Ð£ 2026-03-17 9/450 2026-03-21 02:17 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ Î÷±±´óѧ £¬070300»¯Ñ§Ñ§Ë¶£¬×Ü·Ö287£¬Ë«·ÇÒ»±¾£¬Çóµ÷¼Á¡£ +4 ³¿»èÏßÓëÐǺ£ 2026-03-19 4/200 2026-03-20 22:15 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤×¨Ë¶µ÷¼Á +7 heming3743 2026-03-16 7/350 2026-03-20 19:31 by zhukairuo
[¿¼ÑÐ] 08¹¤Ñ§µ÷¼Á +5 Óû§573181 2026-03-20 5/250 2026-03-20 15:47 by xia_2003
[¿¼ÑÐ] Çóµ÷¼Á +3 °µÓ¿afhb 2026-03-16 3/150 2026-03-20 00:28 by ºÓÄÏ´óѧУÓÑ
[¿¼ÑÐ] 085601ר˶£¬×Ü·Ö342Çóµ÷¼Á£¬µØÇø²»ÏÞ +5 share_joy 2026-03-16 5/250 2026-03-18 14:48 by haxia
[¿¼ÑÐ] 312Çóµ÷¼Á +8 İå·Ï£ 2026-03-16 9/450 2026-03-18 12:39 by Linda Hu
[¿¼ÑÐ] ²ÄÁÏ£¬·ÄÖ¯£¬ÉúÎ0856¡¢0710£©£¬»¯Ñ§ÕÐÉúÀ² +3 Eember. 2026-03-17 9/450 2026-03-18 10:28 by Eember.
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 éÙËÌ. 2026-03-17 4/200 2026-03-17 21:43 by ÓÐÖ»ÀêÅ«
[¿¼ÑÐ] 283Çóµ÷¼Á +3 Ìý·ç¾ÍÊÇÓꣻ 2026-03-16 3/150 2026-03-17 07:41 by ÈÈÇéɳĮ
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û