## Abstract Quantitative structure‐activity relationships (QSAR) for prediction of binding affinities (pEC50, i.e., minus decimal logarithm of the 50% effective concentration) of 20 fullerene derivatives inhibitors of the HIV‐1 PR (human immunodeficiency virus type 1 protease) have been developed b
✦ LIBER ✦
QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors
✍ Scribed by A. A. Toropov; A. P. Toropova; E. Benfenati
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 487 KB
- Volume
- 14
- Category
- Article
- ISSN
- 1381-1991
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
SMILES-based optimal descriptors: QSAR a
✍
Andrey A. Toropov; Alla P. Toropova; Emilio Benfenati; Danuta Leszczynska; Jerzy
📂
Article
📅
2009
🏛
John Wiley and Sons
🌐
English
⚖ 204 KB
SMILES-based optimal descriptors: QSAR m
✍
Andrey A. Toropov; Alla P. Toropova; Rodolfo Gonella Diaza; Emilio Benfenati; Gi
📂
Article
📅
2011
🏛
Springer
🌐
English
⚖ 376 KB
QSPR modeling of enthalpies of formation
✍
Andrey A. Toropov; Alla P. Toropova; Emilio Benfenati; Alberto Manganaro
📂
Article
📅
2009
🏛
John Wiley and Sons
🌐
English
⚖ 77 KB
## Abstract A quantitative structure‐property relationship (QSPR) model for the prediction of gas‐phase enthalpy of formation has been developed, using as chemical information descriptors based on the SMART notation, which is an alternative to SMILES. The model is one‐variable equation. The SMART‐b