Name
Title | ||
|---|---|---|
Using molecular quantum similarity measures under stochastic transformation to describe physical properties of molecular systems. |
Abstract | ||
|---|---|---|
The application of molecular quantum similarity measures (MQSM) to correlate physicochemical proper-ties is reported. Satisfactory quantitative structure-property relationship (QSPR) models are obtained for three molecular sets, where boiling points and chromatographic retention times and indices are studied. In this work, MQSM are scaled using a stochastic transformation and related to molecular properties using the partial least-squares technique. |
Year | DOI | Venue |
|---|---|---|
2002 | 10.1021/ci0103370 | JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES |
Keywords | Field | DocType |
physical properties | Quantum,Quantitative structure–activity relationship,Computational chemistry,Mathematics | Journal |
Volume | Issue | ISSN |
42 | 2 | 0095-2338 |
Citations | PageRank | References |
1 | 0.36 | 12 |
Authors | ||
2 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Xavier Gironés | 1 | 61 | 8.17 |
| Ramon Carbó-Dorca | 2 | 199 | 28.14 |