Molecular moments for computer-aided drug discovery
| Autor: | B. D. Silverman |
|---|---|
| Rok vydání: | 2002 |
| Předmět: |
Pharmacology
animal structures Drug discovery business.industry Pattern recognition General Medicine Moment (mathematics) Structure-Activity Relationship Similarity (network science) Drug Design Drug Discovery Partial least squares regression Computer-aided Principal component regression Computer-Aided Design Regression Analysis Artificial intelligence business Mathematics |
| Zdroj: | Mini reviews in medicinal chemistry. 1(1) |
| ISSN: | 1389-5575 |
| Popis: | Certain of the fundamental concepts underlying the utilization of comparative molecular moment (CoMMA) descriptors as measures of three-dimensional molecular similarity are reviewed. The results of a principal component regression (PCR) analyses of the five data sets previously examined by partial least squares (PLS) calculations are provided. The results further substantiate the utility of the CoMMA descriptors in predicting chemical and biological activity. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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