𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance

✍ Scribed by Guha, Rajarshi; Jurs, Peter C.

Book ID
118175758
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
163 KB
Volume
45
Category
Article
ISSN
0095-2338

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The Importance of Descriptor-Based Clust
The Importance of Descriptor-Based Clusterization in QSAR Models Development: Tyrosine Kinases Inhibitors as a Key Study
✍ Giovanni Marzaro; Francesca Tonus; Paola Brun; Ignazio Castagliuolo; Adriano Gui πŸ“‚ Article πŸ“… 2011 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 395 KB

## Abstract Quantitative Structure Activity Relationship (QSAR) is a well known cheminformatic tool for the discovery of novel biologically active compounds. However, when large and heterogeneous datasets are mined, it is not possible to derive a QSAR equation able to predict in a satisfactory mann

Neural Networks in QSAR and Drug Design
Neural Networks in QSAR and Drug Design || Use of a Backpropagation Neural Network and Auto-correlation Descriptors for Predicting the Biodegradation of Organic Chemicals
✍ Devillers, J. πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier 🌐 English βš– 810 KB

Comprehensive and impeccably edited, **Neural Networks in QSAR and Drug Design** is the first book to present an all-inclusive coverage of the topic. The book provides a practice-oriented introduction to the different neural network paradigms, allowing the reader to easily understand and reproduce t