| ²é¿´: 1031 | »Ø¸´: 4 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
taowanjun1223ͳæ (³õÈëÎÄ̳)
|
[½»Á÷]
Çë½ÌһЩ·Ö×ÓÃèÊö·ûÔõô¼ÆË㣿ÓÃʲôÈí¼þ¿ÉÒÔ¼ÆË㣿
|
||
|
ÎÒ¸Õ¿ªÊ¼Ñ§ Ï£Íû´ó¼Ò¶àÖ¸½Ì^_^ ABSQonºÍ¦Ê¦Á3Á½¸öÃèÊö·ûÓÃʲôÈí¼þ¿ÉË㣿ÔõôË㣿лл Size and shape-related descriptors Kappa Alpha 3 (¦Ê¦Á3): third order shape index that can discern isomers of the same molecule Charge-related descriptors The sum of absolute values of the charges on nitrogen and oxygen atoms in the molecule (ABSQon) |
» ²ÂÄãϲ»¶
¡¾211²©Ê¿ÕÐÉú¡¿»·¾³»¯Ñ§¡¢µØÑ§¡¢¶¾Àí·½Ïò£¬Éó¤ÎÛȾÎïÇ¨ÒÆ×ª»¯½µ½â¡¢¼ÆËãÄ£ÄâÕßÓÅÏÈ
ÒѾÓÐ17È˻ظ´
ÇóÖúÈçºÎÀûÓÃvasp¼ÆËã´Å¹â¿Ë¶ûЧӦ
ÒѾÓÐ1È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ91È˻ظ´
070300×Ü·Ö298Çóµ÷¼Á
ÒѾÓÐ2È˻ظ´
Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§Ñ§Ë¶307Çóµ÷¼Á
ÒѾÓÐ13È˻ظ´
ÀíÂÛÓë¼ÆË㻯ѧ·½Ïòµ÷¼Á¡ª¡ª³õÊÔ388·Ö£¨Êýѧ144£©
ÒѾÓÐ1È˻ظ´
µ÷¼ÁÕÐÉú
ÒѾÓÐ7È˻ظ´
ºÓÄÏÀí¹¤´óѧ»¯¹¤Ñ§ÔºÕÐÊÕµ÷¼ÁÉúÀ²£¡
ÒѾÓÐ1È˻ظ´
˶ʿÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
Ͷ¸åÆÚ¿¯ÇóÖú
ÒѾÓÐ1È˻ظ´
½Î÷ʦ´ó»¯Ñ§¹¤³ÌѧԺµ÷¼Á½ñÍí0µã¿ª·Å£¡ ȱ¶î100¸ö£¬Ëٳ壡
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
yalefield
½ð³æ (ÎÄ̳¾«Ó¢)
ÀϺºÒ»Ã¶
- QCÇ¿Ìû: 1
- Ó¦Öú: 129 (¸ßÖÐÉú)
- ¹ó±ö: 0.17
- ½ð±Ò: 21238.9
- É¢½ð: 3440
- ºì»¨: 66
- Ìû×Ó: 12101
- ÔÚÏß: 759.1Сʱ
- ³æºÅ: 96063
- ×¢²á: 2005-10-07
- רҵ: ¸ßµÈ½ÌÓýѧ
- ¹ÜϽ: ¼ÆËãÄ£Äâ
¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄúµÄ²ÎÓ룬»¶ÓÄú³£À´¼ÆËãÄ£Äâ°æ¡£
zzgyb(½ð±Ò+1,VIP+0):ллÄúµÄ²ÎÓ룬»¶ÓÄú³£À´¼ÆËãÄ£Äâ°æ¡£
|
ÃèÊö×ӵļÆË㣬¸ü¶àÓÃÓÚQSAR£¨»òÕßQSPR£© °´Ëµ£¬Ó¦¸ÃÊôÓÚ»¯Ñ§ÐÅϢѧ£¬¶ø²»ÊôÓÚ·Ö×ÓÄ£Äâ¡£ ²»¹ý£¬Ã»Óл¯Ñ§ÐÅϢѧר°æµÄÇé¿öÏ£¬Ó¦¸ÃÊôÓÚÒ©ÎïÉè¼Æ¡£ |
3Â¥2008-01-26 22:21:45
yalefield
½ð³æ (ÎÄ̳¾«Ó¢)
ÀϺºÒ»Ã¶
- QCÇ¿Ìû: 1
- Ó¦Öú: 129 (¸ßÖÐÉú)
- ¹ó±ö: 0.17
- ½ð±Ò: 21238.9
- É¢½ð: 3440
- ºì»¨: 66
- Ìû×Ó: 12101
- ÔÚÏß: 759.1Сʱ
- ³æºÅ: 96063
- ×¢²á: 2005-10-07
- רҵ: ¸ßµÈ½ÌÓýѧ
- ¹ÜϽ: ¼ÆËãÄ£Äâ
¡ï ¡ï
spur(½ð±Ò+2,VIP+0):ÐÁ¿àÁË£¡¸Ðл°ïÖú£¡£¡
spur(½ð±Ò+2,VIP+0):ÐÁ¿àÁË£¡¸Ðл°ïÖú£¡£¡
|
(1) ×Ô¼º±à³ÌÐò (2) רÃżÆËãÃèÊö×ÓµÄÈí¼þ£º MolConnZ Dragon (3) ´óÐÍÈí¼þÖеÄÄ£¿é Sybyl MOE (4) ÓÐЩQSARÍøÕ¾£ººÜÄÑÕÒ£¬¶øÇÒδ±ØÄܼÆËãÄãÒªµÄÕ⼸ÖÖÃèÊö×Ó |
2Â¥2008-01-26 22:18:45
taowanjun1223
ͳæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 127.5
- Ìû×Ó: 35
- ÔÚÏß: 45·ÖÖÓ
- ³æºÅ: 497111
- ×¢²á: 2008-01-26
- ÐÔ±ð: MM
- רҵ: ҩѧ
4Â¥2008-01-27 11:34:29
alicew
ͳæ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 34.7
- É¢½ð: 90
- ºì»¨: 1
- Ìû×Ó: 813
- ÔÚÏß: 43.3Сʱ
- ³æºÅ: 164703
- ×¢²á: 2006-01-12
- רҵ: Ò©ÎïÉè¼ÆÓëÒ©ÎïÐÅÏ¢
¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ»Ø´ð£¬»¶Ó¼ÌÐø¹Ø×¢¼ÆËãÄ£Äâ°æ£¡
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ»Ø´ð£¬»¶Ó¼ÌÐø¹Ø×¢¼ÆËãÄ£Äâ°æ£¡
|
ÕÒÔʼÎÄÏ×£¬¿´¿´Ê×´´ÕßÊDz»ÊÇÌṩÁ˼ÆËã·½·¨¡£ Ò²¿ÉÒÔÖ±½Ó²éÄÇЩqsarÎÄÏ×ÓÃÁËÕâЩdiscriptor£¬È»ºó¿´ÆämethodsÀïÓÃʲô¹¤¾ßËãµÄ¡£ QSARµÄdiscriptorÌ«¶àÁË£¬²»»áÿ¸öÈí¼þ¶¼ÄܰüÀ¨ÁË |
5Â¥2008-02-01 11:27:05














»Ø¸´´ËÂ¥