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 |
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School of Pharmaceutical Sciences, Central South University.
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ChemDes by CBDD Group, CSU, China. is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
E-mail: jiedong@csu.edu.cn
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