E-viri
Recenzirano
-
Winkler, David A.; Le, Tu C.
Molecular informatics, January 2017, 2017-01-00, 20170101, Letnik: 36, Številka: 1-2Journal Article
Neural networks have generated valuable Quantitative Structure‐Activity/Property Relationships (QSAR/QSPR) models for a wide variety of small molecules and materials properties. They have grown in sophistication and many of their initial problems have been overcome by modern mathematical techniques. QSAR studies have almost always used so‐called “shallow” neural networks in which there is a single hidden layer between the input and output layers. Recently, a new and potentially paradigm‐shifting type of neural network based on Deep Learning has appeared. Deep learning methods have generated impressive improvements in image and voice recognition, and are now being applied to QSAR and QSAR modelling. This paper describes the differences in approach between deep and shallow neural networks, compares their abilities to predict the properties of test sets for 15 large drug data sets (the kaggle set), discusses the results in terms of the Universal Approximation theorem for neural networks, and describes how DNN may ameliorate or remove troublesome “activity cliffs” in QSAR data sets.
Vnos na polico
Trajna povezava
- URL:
Faktor vpliva
Dostop do baze podatkov JCR je dovoljen samo uporabnikom iz Slovenije. Vaš trenutni IP-naslov ni na seznamu dovoljenih za dostop, zato je potrebna avtentikacija z ustreznim računom AAI.
Leto | Faktor vpliva | Izdaja | Kategorija | Razvrstitev | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Baze podatkov, v katerih je revija indeksirana
Ime baze podatkov | Področje | Leto |
---|
Povezave do osebnih bibliografij avtorjev | Povezave do podatkov o raziskovalcih v sistemu SICRIS |
---|
Vir: Osebne bibliografije
in: SICRIS
To gradivo vam je dostopno v celotnem besedilu. Če kljub temu želite naročiti gradivo, kliknite gumb Nadaljuj.