Estimation of Properties of Pure Organic Substances with Group and Pair Contributions
ABSTRACTbstract - This work presents a new predictive method for the estimation of properties of pure organic substances. Each compound is assigned a molecular graph or an adjacency matrix representing its chemical structure, from which properties are then obtained as a summation of all contribution...
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| Format: | Article |
| Language: | English |
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Brazilian Society of Chemical Engineering
1997-06-01
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| Series: | Brazilian Journal of Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66321997000200005 |