An integrated web-based platform for molecular descriptor and fingerprint computation
1 | ASA | Solvent-accessible surface areas |
2 | MSA | Molecular surface areas |
3 | PNSA1 | Partial negative area |
4 | PPSA1 | Partial negative area |
5 | PNSA2 | Total charge weighted negative surface area |
6 | PPSA2 | Total charge weighted negative surface area |
7 | PNSA3 | Atom charge weighted negative surface areas |
8 | PPSA3 | Atom charge weighted positive surface areas |
9 | DPSA1 | Difference in charged partial surface area |
10 | DPSA2 | Difference in total charge weighted partial surface area |
11 | DPSA3 | Difference in atomic charge weighted surface area |
12 | FNSA1 | Fractional charged partial negative surface areas |
13 | FNSA2 | Fractional charged partial negative surface areas |
14 | FNSA3 | Fractional charged partial negative surface areas |
15 | FPSA1 | Fractional charged partial negative surface areas |
16 | FPSA2 | Fractional charged partial negative surface areas |
17 | FPSA3 | Fractional charged partial negative surface areas |
18 | WNSA1 | Surface weighted charged partial negative surface areas |
19 | WNSA2 | Surface weighted charged partial negative surface areas |
20 | WNSA3 | Surface weighted charged partial negative surface areas |
21 | WPSA1 | Surface weighted charged partial negative surface areas |
22 | WPSA2 | Surface weighted charged partial negative surface areas |
23 | WPSA3 | Surface weighted charged partial negative surface areas |
24 | TASA | Total hydrophobic surface area |
25 | PSA | Total polar surface area |
26 | FrTATP | The fraction between TASA and TPSA |
27 | RASA | Relative hydrophobic surface area |
28 | RPSA | Relative polar surface area |
29 | RNCS | Relative negative charge surface area |
30 | RPCS | Relative positive charge surface area |
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