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Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening

✍ Scribed by Durrant, Jacob D.; Friedman, Aaron J.; Rogers, Kathleen E.; McCammon, J. Andrew


Book ID
120986354
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
518 KB
Volume
53
Category
Article
ISSN
0095-2338

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## Abstract Feed‐forward neural networks have been used for pattern recognition, because they have an ability to estimate __a posteriori__ probability. This paper investigates the ability to estimate the __a posteriori__ probability by using one‐dimensional Gaussian distributions, uniform distribut