𝔖 Bobbio Scriptorium
✦   LIBER   ✦

QSPR modeling of the enthalpy of formation based on Partial Order Ranking

✍ Scribed by Eduardo A. Castro; Francisco M. Fernández; Pablo R. Duchowicz

Book ID
106419108
Publisher
Springer
Year
2005
Tongue
English
Weight
73 KB
Volume
37
Category
Article
ISSN
0259-9791

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

QSPR modeling of enthalpies of formation
QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors
✍ 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