Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1028  |  »Ø¸´: 4
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

taowanjun1223

Í­³æ (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)
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yalefield

½ð³æ (ÎÄ̳¾«Ó¢)

ÀϺºÒ»Ã¶

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

yalefield

½ð³æ (ÎÄ̳¾«Ó¢)

ÀϺºÒ»Ã¶

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

taowanjun1223

Í­³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Originally posted by yalefield at 2008-1-26 22:21:
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¡£

Êǵģ¬ÎÒ¼ÆËãµÄÃèÊö×Ó¾ÍÊÇÓÃÓÚQSAR¡£Ð»Ð»Äã¸øµÄ°ïÖú^_^
ÎÒÔÙ°´ÄãµÄ˼·ÊÔÊÔ֮ǰÌáµ½µÄһЩÈí¼þ!


ÎÒ×îÏȳ¢ÊԵij£ÓÃÈí¼þ£º
ACD ChemSketch V10.0¿ÉÒÔËã·Ö×ÓÌå»ýVolume,¼«»¯ÂʵÈ

Chemoffice¿ÉÒÔËãDipole,LogPµÈ

^_^ÕâЩ¶¼Ã»ÓС£¡£¡£ËùÒÔ¾ÍÉÏÀ´ÇóÖúÁË
4Â¥2008-01-27 11:34:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

alicew

Í­³æ (ÕýʽдÊÖ)

¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ»Ø´ð£¬»¶Ó­¼ÌÐø¹Ø×¢¼ÆËãÄ£Äâ°æ£¡
ÕÒԭʼÎÄÏ×£¬¿´¿´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
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ taowanjun1223 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÉúÎïÒ½Ò©µ÷¼Á£üSCIÖпÆÔºÈýÇøÒ»×÷+¶àÏî¿ÆÑгɹû +5 likangxing 2026-04-07 8/400 2026-04-07 16:15 by Éϰ¶¿ì¿ì
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +18 °¬Ö¾ºã 2026-04-03 19/950 2026-04-07 16:00 by Æð·ÉµÄ±ÈÐÜ1
[¿¼ÑÐ] ²ÄÁÏ¿¼ÑÐÇóµ÷¼Á×Ü·Ö280 +23 mkjlz1 2026-04-06 26/1300 2026-04-07 15:58 by °¡¿¡£¡
[¿¼ÑÐ] 0702ÎïÀíѧѧ˶299Çóµ÷¼Á +3 ÆîÆâÁ¬ 2026-04-06 3/150 2026-04-07 12:48 by Сľ³ægyh
[¿¼ÑÐ] Çóµ÷¼Á +7 wwwwabcde 2026-04-07 7/350 2026-04-07 12:32 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ´óѧ0710£¨A£©³õÊÔ329·Ö Çóµ÷¼Á +5 Ò»Ãû26¿¼ÑÐÉú 2026-04-04 5/250 2026-04-07 08:54 by 18828373951
[¿¼ÑÐ] 071000ÉúÎïѧµ÷¼Á +7 À­ÌáÌÒ 2026-04-06 7/350 2026-04-06 18:55 by 52305043001
[¿¼ÑÐ] 377Çóµ÷¼Á +6 by.ovo 2026-04-05 6/300 2026-04-05 22:18 by dongzh2009
[¿¼ÑÐ] ²ÄÁÏר˶ µ÷¼Á +14 CXN123456 2026-04-03 14/700 2026-04-05 17:18 by Hdyxbekcb
[¿¼ÑÐ] 282µç×ÓÐÅÏ¢0854ר˶µ÷¼Á +4 202451007219 2026-04-02 6/300 2026-04-04 21:55 by laoshidan
[¿¼ÑÐ] »·¾³285·Ö£¬¹ýÁù¼¶£¬Çóµ÷¼Á +10 xhr12 2026-04-02 10/500 2026-04-04 21:53 by bn53987
[¿¼ÑÐ] Ò»Ö¾Ô¸085404£¬×Ü·Ö291£¬Ëļ¶Òѹý£¬Çóµ÷¼Á +5 °¢¿¡°¢¿¡°¢¿¡ 2026-04-04 7/350 2026-04-04 13:23 by Á«²Ë¾ÍÊÇź°É
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] 293Çóµ÷¼Á +5 ĩδmm 2026-04-02 6/300 2026-04-03 15:20 by Íõ±£½Ü33
[¿¼ÑÐ] 085600ר˶²ÄÁÏÓ뻯¹¤348·ÖÇóµ÷¼Á +10 ÉÏѧÀ²£¡ 2026-04-01 11/550 2026-04-03 14:13 by °ÙÁéͯ888
[¿¼²©] É격ÇóÖú +3 Reee1Llll 2026-04-01 3/150 2026-04-02 22:29 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 0805Çóµ÷¼Á +8 ÊÇË®·Ö 2026-03-31 8/400 2026-04-02 10:46 by guanxin1001
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +8 cs0106 2026-04-01 9/450 2026-04-02 10:36 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 09:15 by olim
[¿¼ÑÐ] 265Çóµ÷¼Á +11 yelck 2026-04-01 12/600 2026-04-01 19:12 by 549790059
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û