RelNo | Symbol | Name | References
|
| 1 | Ui | unsaturation index | Todeschini, R. & Consonni, V.
Handbook of Molecular Descriptors.
Wlley-VCH.Weinheim (Germany), (2000).
|
| 2 | Hy | hydrophilic factor | Todeschini, R. & Consonni, V.
Handbook of Molecular Descriptors.
Wlley-VCH.Weinheim (Germany), (2000).
|
| 3 | AMR | Ghose-Crippen molar refractivity |
Viswanadhan, V.N., Ghose, A.K.,
Revankar, G.R. & Robins,
R.K.
J. Chem. Inf. Comput. Sci.,
(1989), 29,163-172.
|
| 4 | PSA | fragment-based polar surface area |
Ertl, P.,.Rohde,.B.,& Selzer, P.
J. Med. Chem., (2000),
43, 3714-3717.
|
| 5 | MLOGP | Moriguchi octanol-water partition coeff. (logP) |
Moriguchi, I., Hirono, S., Liu, Q.,
Nakagome, I. & Matsushita,Y.
Chem. Pharm. Bull., (1992), 40, 127-130.
|
| 6 | MLOGP2 | Squared Moriguchi octanol-water partition coeff. (logP^2) |
| 7 | ALOGP | Ghose-Crippen octanol-water partition coeff. (logP) |
Viswanadhan, V.N., Ghose, A.K.,
Revankar, G.R. & Robins,
R.K.
J. Chem. Inf. Comput. Sci.,
(1989), 29,163-172.
|
| 8 | ALOGP2 | Squared Ghose-Crippen octanol-water partition coeff. (logP^2) |
| 9 | LAI | Lipinski Alert index (drug-like index) | |
| 10 | GVWAI-80 | Ghose-Viswanadhan-Wendoloski Alert index at 80% (drug-like index) |
Ghose, A.K., Viswanadhan,
& Wendoloski, J.J.
J. Comb.
Chem., (1999), 1,55-68.
|
| 11 | GVWAI-50 | Ghose-Viswanadhan-Wendoloski Alert index at 50% (drug-like index) |
| 12 | Inflammat-80 | Ghose-Viswanadhan-Wendoloski antiinflammatory at 80% (drug-like index) |
| 13 | Inflammat-50 | Ghose-Viswanadhan-Wendoloski antiinflammatory at 50% (drug-like index) |
| 14 | Depressant-80 | Ghose-Viswanadhan-Wendoloski antidepressant at 80% (drug-like index) |
| 15 | Depressant-50 | Ghose-Viswanadhan-Wendoloski antidepressant at 50% (drug-like index) |
| 16 | Psychotic-80 | Ghose-Viswanadhan-Wendoloski antipsychotic at 80% (drug-like index) |
| 17 | Psychotic-50 | Ghose-Viswanadhan-Wendoloski antipsychotic at 50% (drug-like index) |
| 18 | Hypertens-80 | Ghose-Viswanadhan-Wendoloski antihypertensive at 80% (drug-like index) |
| 19 | Hypertens-50 | Ghose-Viswanadhan-Wendoloski antihypertensive at 50% (drug-like index) |
| 20 | Hypnotic-80 | Ghose-Viswanadhan-Wendoloski hypnotic at 80% (drug-like index) |
| 21 | Hypnotic-50 | Ghose-Viswanadhan-Wendoloski hypnotic at 50% (drug-like index) |
| 22 | Neoplastic-80 | Ghose-Viswanadhan-Wendoloski antineoplastic at 80% (drug-like index) |
| 23 | Neoplastic-50 | Ghose-Viswanadhan-Wendoloski antineoplastic at 50% (drug-like index) |
| 24 | Infective-80 | Ghose-Viswanadhan-Wendoloski antiinfective at 80% (drug-like index) |
| 25 | Infective-50 | Ghose-Viswanadhan-Wendoloski antiinfective at 50% (drug-like index) |
| 26 | BLTF96 | Verhaar model of Fish base-line toxicity from MLOGP (mmol/l) | |
| 27 | BLTD48 | Verhaar model of Daphnia base-line toxicity from MLOGP (mmol/l) | |
| 28 | BLTA96 | Verhaar model of Algae base-line toxicity from MLOGP (mmol/l) | |
