Znn3bq.jpeg
²é¿´: 1712  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

churk

½ð³æ (³õÈëÎÄ̳)

[ÇóÖú] QSPRÖÐEdragonµÄÊä³öÊý¾ÝÎÊÌâ

±¾È˸սӴ¥QSPR£¬Ïë×öÒ»¸öÔ¤²â¡£ÔÚ¼ÆËãÃèÊö·ûµÄʱºòÓöµ½ÁËÎÊÌ⣬µ±ÎÒÊäÈ뼸ÖÖ²»Í¬ÎïÖÊʱ£¬ËùÓеÄÃèÊö·û£¨information indices)µÄÊý¾Ý¾¹È»¶¼ÊÇÒ»ÑùµÄ£¬·³¸ßÊÖ°ïÎÒ¿´¿´ÊÇʲôÎÊÌâ¡£ÎҵIJ½ÖèÊÇ£ºÓÃCHEMDRAW»­³ö·Ö×ӽṹ£¬ÔÚHYPERCHEMϽøÐÐMMºÍAM1ÓÅ»¯£¬È»ºóµ¼ÈëOPENBABELת»»³ÉSDF¸ñʽ£¬×îºóµ¼ÈëEdragon¡£ÎÒÊÇг棬ûʲô½ð±Ò£¬»¹Íû¼ûÁ£¬ºÇºÇ¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zlp-lw

ľ³æ (ÕýʽдÊÖ)

ÄãºÃ£¬ÎÒÊdzõѧÕߣ¬ÄãÓÐûÓÐopenbabelÈí¼þ¸øÎÒ´«Ò»Ï£¬ÎÒûÓÐʲô½ð±Ò£¬»¹Íû¼ûÁ£¬Ð»Ð»£¡
5Â¥2012-04-24 15:53:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

10111102

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
dbb627(½ð±Ò+49): ×ªÒÆ½ð±Ò 2012-02-26 14:56:24
ÎÒÒ²ÊdzõѧÕß £¬ÄãÉÏ´«·Ö×ӽṹµÄʱºòÊÇÓÃupload cfg£¬»¹ÊÇÓÃupload data£¿ÓÃǰÕߵóöµÄÊÇÁ½×éÊý¾Ý£¬ÃèÊö·ûµÄÊý¾ÝÊÇÒ»ÑùµÄ£»ÓúóÕߵóöµÄÊÇÒ»×éÊý¾Ý£¬²»Í¬ÎïÖʵÄÃèÊö·ûÊDz»Ò»ÑùµÄ¡£ËùÒÔ£¬ÎÒ¾õµÃÓ¦¸ÃÓúóÕߣ¬µ«ÊǾßÌåÊÇʲôÒâ˼£¬ÎªÊ²Ã´£¬ÎҾͲ»Ì«Ã÷°×ÁË¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

2Â¥2012-02-24 08:42:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

churk

½ð³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Â¥: Originally posted by 10111102 at 2012-02-24 08:42:50:
ÎÒÒ²ÊdzõѧÕß £¬ÄãÉÏ´«·Ö×ӽṹµÄʱºòÊÇÓÃupload cfg£¬»¹ÊÇÓÃupload data£¿ÓÃǰÕߵóöµÄÊÇÁ½×éÊý¾Ý£¬ÃèÊö·ûµÄÊý¾ÝÊÇÒ»ÑùµÄ£»ÓúóÕߵóöµÄÊÇÒ»×éÊý¾Ý£¬²»Í¬ÎïÖʵÄÃèÊö·ûÊDz»Ò»ÑùµÄ¡£ËùÒÔ£¬ÎÒ¾õµÃÓ¦¸ÃÓúóÕߣ¬µ«ÊÇ¾ß ...

¸Ðл»Ø¸´£¬ºÇºÇ¡£ºÃÏñÄǸöcfgºÍdataÊDz»¿ÉÑ¡ÔñµÄ°¡£¬ºÃÏñÖ»¿ÉÒÔÑ¡Ôñupload data,»¹ÍûÖ¸½Ì
3Â¥2012-02-26 14:06:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

churk

½ð³æ (³õÈëÎÄ̳)

ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
Â¥: Originally posted by 10111102 at 2012-02-24 08:42:50:
ÎÒÒ²ÊdzõѧÕß £¬ÄãÉÏ´«·Ö×ӽṹµÄʱºòÊÇÓÃupload cfg£¬»¹ÊÇÓÃupload data£¿ÓÃǰÕߵóöµÄÊÇÁ½×éÊý¾Ý£¬ÃèÊö·ûµÄÊý¾ÝÊÇÒ»ÑùµÄ£»ÓúóÕߵóöµÄÊÇÒ»×éÊý¾Ý£¬²»Í¬ÎïÖʵÄÃèÊö·ûÊDz»Ò»ÑùµÄ¡£ËùÒÔ£¬ÎÒ¾õµÃÓ¦¸ÃÓúóÕߣ¬µ«ÊÇ¾ß ...

¸ã¶¨ÁË£¬ÕæÊÇÌ«¸ÐлÄãÁË
4Â¥2012-02-26 14:10:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +21 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 21/1050 2026-04-09 09:21 by ÄæË®³Ë·ç
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +15 ŬÁ¦·Ü¶·112 2026-04-06 17/850 2026-04-08 22:27 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 293·ÖÇóµ÷¼Á£¬ÍâÓïΪ¶íÓï +7 ¼ÓÒ»Ò»¾Å 2026-04-07 10/500 2026-04-08 20:14 by yutian743
[¿¼ÑÐ] 307·Ö²ÄÁÏרҵÇóµ÷¼Á +12 Hllºú 2026-04-05 12/600 2026-04-08 16:33 by luoyongfeng
[¿¼ÑÐ] 312Çóµ÷¼Á +4 Say Never 2026-04-04 4/200 2026-04-08 08:41 by barlinike
[¿¼ÑÐ] 305Çóµ÷¼Á +3 77Qi 2026-04-07 3/150 2026-04-07 23:18 by jp9609
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +3 19123253302 2026-04-06 3/150 2026-04-07 18:00 by jp9609
[¿¼ÑÐ] 080500Çóµ÷¼Á +12 »ÆÓ 2026-04-06 12/600 2026-04-07 12:41 by upczlm1989
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á Ò»Ö¾Ô¸°²»Õ´óѧ085601 +12 zyxÉϰ¶£¡ 2026-04-04 12/600 2026-04-07 02:09 by BruceLiu320
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +14 Ò¼·¡·¡ÒÚ 2026-04-04 14/700 2026-04-05 23:31 by À´¿´Á÷ÐÇÓê10
[¿¼ÑÐ] ¼ÆËã»ú11408£¬286·ÖÇóµ÷¼Á +7 ľ×ÓÄî•„ 2026-04-05 7/350 2026-04-05 19:02 by chy09050039
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +4 cs0106 2026-04-04 4/200 2026-04-05 18:46 by imissbao
[¿¼ÑÐ] 295Çóµ÷¼Á +8 FZAC123 2026-04-03 8/400 2026-04-05 17:46 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 323Çóµ÷¼Á +8 Àî¼ÑÀÖ1 2026-04-04 8/400 2026-04-04 22:26 by hemengdong
[¿¼ÑÐ] Çóµ÷¼Á +4 êɹ¦? 2026-04-03 4/200 2026-04-04 21:58 by hemengdong
[¿¼ÑÐ] 316Çóµ÷¼Á +9 Ä«³½_Orion926 2026-04-04 9/450 2026-04-04 21:35 by lbsjt
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-04 20:37 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 085602 ÕÒµ÷¼Á +4 ÄæÊ±Õë¿ìÀÖ 2026-04-02 4/200 2026-04-04 19:32 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-03 16:46 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸¸´µ©²ÄÁÏ£¬Ó¢Ò»×¨Ë¶£¬×Ü·Ö357µ÷¼Á +4 1050389037 2026-04-02 5/250 2026-04-02 21:40 by dongzh2009
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û