An integrated web-based platform for molecular descriptor and fingerprint computation
1 | QHmax | Most positive charge on H atom |
2 | QCmax | Most positive charge on C atom |
3 | QNmax | Most positive charge on N atom |
4 | QOmax | Most positive charge on O atom |
5 | QHmin | Most negative charge on H atom |
6 | QCmin | Most negative charge on C atom |
7 | QNmin | Most negative charge on N atom |
8 | QOmin | Most negative charge on O atom |
9 | Qmax | Most positive charge in a molecule |
10 | Qmin | Most negative charge in a molecule |
11 | QHSS | Sum of squares of charges on H atom |
12 | QCSS | Sum of squares of charges on C atom |
13 | QNSS | Sum of squares of charges on N atom |
14 | QOSS | Sum of squares of charges on O atom |
15 | Qass | Sum of squares of charges on all atoms |
16 | Mpc | Mean of positive charges |
17 | Tpc | total of positive charges |
18 | Mnc | Mean of negative charges |
19 | Tnc | totalof negative charges |
20 | Mac | Mean of absolute charges |
21 | Tac | total of absolute charges |
22 | Rpc | Relative positive charge |
23 | Rnc | Relative negative charge |
24 | SPP | Submolecular polarity parameter |
25 | LDI | Local dipole index |
Visits since Mar 3, 2015
Copyright @ 2012- Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University.
All rights reserved.
The recommended browsers: Safari, Firefox, Chrome, IE(Ver. >8).
ChemDes by CBDD Group, CSU, China. is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
E-mail: biomed@csu.edu.cn