NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function

NNScore is a neural-network-based scoring function designed to aid the computational identification of small-molecule ligands. While the test cases included in the original NNScore article demonstrated the utility of the program, the application examples were limited. The purpose of the current work is to further confirm that neural-network scoring functions are effective, even when compared to...

متن کامل

NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand Complexes

As high-throughput biochemical screens are both expensive and labor intensive, researchers in academia and industry are turning increasingly to virtual-screening methodologies. Virtual screening relies on scoring functions to quickly assess ligand potency. Although useful for in silico ligand identification, these scoring functions generally give many false positives and negatives; indeed, a pr...

متن کامل

Neural network credit scoring models

This paper investigates the credit scoring accuracy of "ve neural network models: multilayer perceptron, mixture-of-experts, radial basis function, learning vector quantization, and fuzzy adaptive resonance. The neural network credit scoring models are tested using 10-fold crossvalidation with two real world data sets. Results are benchmarked against more traditional methods under consideration...

متن کامل

a trust-based credit scoring model using neural network

credit decisions are extremely vital for any type of financial institution because it can stimulate huge financial losses generated from defaulters. credit scoring models are decision support systems that take a set of predictor variables as input and provide a score as output and creditors use these models to justify who will get credit and who will not. many different credit scoring models ha...

متن کامل

Visualizing Convolutional Neural Network Protein-Ligand Scoring

Protein-ligand scoring is an important step in a structure-based drug design pipeline. Selecting a correct binding pose and predicting the binding affinity of a protein-ligand complex enables effective virtual screening. Machine learning techniques can make use of the increasing amounts of structural data that are becoming publicly available. Convolutional neural network (CNN) scoring functions...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Journal of Chemical Information and Modeling

سال: 2011

ISSN: 1549-9596,1549-960X

DOI: 10.1021/ci2003889