Neural networks in the search for similarity and structure — activity

A logical calculus of the ideas immanent in nervous activity

1943 • 16,532 citations

Prediction of Protein Secondary Structure at Better than 70% Accuracy

1993 • 2,958 citations

Proceedings of the National Academy of Sciences, USA

1996 • 1,621 citations

Optimal unsupervised learning in a single-layer linear feedforward neural network

1989 • 1,512 citations

Journal of Chemical Physics

1933 • 1,281 citations

Predicting the secondary structure of globular proteins using neural network models

1988 • 1,243 citations

Handbook of chemical property estimation methods

1982 • 886 citations

Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9

1971 • 786 citations

Improvements in protein secondary structure prediction by an enhanced neural network

1990 • 708 citations

Chance factors in studies of quantitative structure-activity relationships

1979 • 668 citations

Neural networks: A new method for solving chemical problems or just a passing phase?

1991 • 566 citations

Chemometric methods in molecular design

1995 • 551 citations

Improved prediction of protein secondary structure by use of sequence profiles and neural networks.

1993 • 525 citations

Protein secondary structure prediction with a neural network.

1989 • 506 citations

Handbook of chemical property estimation methods

1991 • 485 citations

Neural Networks in Chemistry

1993 • 482 citations

Learning machines: foundations of trainable pattern-classifying systems

1965 • 464 citations

Neural network PC tools: a practical guide

1990 • 392 citations

Chemometrics: Theory and Application

1977 • 363 citations

Chemometric Methods in Molecular Design

1995 • 321 citations

Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors

1991 • 285 citations

Acta biochimica Polonica

1954 • 233 citations

Protein secondary structure and homology by neural networks The α‐helices in rhodopsin

1988 • 176 citations

Feed-forward neural networks in chemistry: mathematical systems for classification and pattern recognition

1993 • 170 citations

Neural network studies

1994 • 166 citations

Neural networks applied to pharmaceutical problems. III. Neural networks applied to quantitative structure-activity relationship (QSAR) analysis

1990 • 165 citations

Similarity models in organic chemistry, biochemistry, and related fields

1991 • 159 citations

Structure-activity relationships from molecular similarity matrices

1993 • 157 citations

Neural Network PC Tools

1990 • 150 citations

Applications of artificial intelligence in chemistry

1994 • 146 citations

A novel approach to prediction of the 3‐dimensional structures of protein backbones by neural networks

1990 • 135 citations

Neural networks applied to structure-activity relationships

1990 • 133 citations

Carbon-13 Nuclear Magnetic Resonance Spectrometry

1992 • 126 citations

Neural network studies. 1. Estimation of the aqueous solubility of organic compounds

1991 • 106 citations

Prediction of β-turns in proteins using neural networks

1989 • 103 citations

Statistics using neural networks: chance effects

1993 • 103 citations

Prediction of the disulfide-bonding state of cysteine in proteins

1990 • 101 citations

The Use of Artificial Neural Networks in QSAR

1992 • 95 citations

Advanced Computer‐Assisted Techniques in Drug Discovery

1994 • 92 citations

[29] Artificial neural networks

1992 • 90 citations

Applications of neural networks in structure-activity relationships of a small number of molecules

1993 • 86 citations

Analysis of linear and nonlinear QSAR data using neural networks

1994 • 84 citations

Cross‐validation of protein structural class prediction using statistical clustering and neural networks

1993 • 81 citations

The use of neural networks for variable selection in QSAR

1993 • 74 citations

Computational neural networks as model-free mapping devices

1992 • 69 citations

Novel method for the display of multivariate data using neural networks

1991 • 66 citations

Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques

1993 • 59 citations

Spectra in the chaotic region: Methods for extracting dynamic information

1989 • 58 citations

Advanced Computer-Assisted Techniques in Drug Discover

1994 • 58 citations

Evaluation of neural networks based on radial basis functions and their application to the prediction of boiling points from structural parameters

1993 • 56 citations

Artificial Neural Networks for Pattern Recognition in Biochemical Sequences

1993 • 52 citations

Automatic interpretation of infrared spectra: recognition of aromatic substitution patterns using neural networks

1992 • 51 citations

Development of artificial neural filters for pattern recognition in protein sequences

1993 • 51 citations

Non‐linear mapping for structure‐activity and structure‐property modelling

1993 • 44 citations

Neural networks and carbon-13 NMR shift prediction

1993 • 43 citations

Neural networks in pharmacodynamic modeling. Is current modeling practice of complex kinetic systems at a dead end?

1992 • 42 citations

New Trends in Structure‐Biodegradability Relationships

1993 • 42 citations

Analysis of the secondary structure of the human immunodeficiency virus (HIV) proteins p17, gp120, and gp41 by computer modeling based on neural network methods.

1990 • 42 citations

Neural networks applied to pharmaceutical problems. IV. Basic operating characteristics of neural networks when applied to structure-activity studies.

1991 • 37 citations

Perspectives in QSAR: Computer chemistry and pattern recognition

1988 • 36 citations

[10] Neural networks for protein structure prediction

1991 • 35 citations

Predicting Protein Functionality with Artificial Neural Networks: Foaming and Emulsifying Properties

1993 • 35 citations

[30] Pattern recognition methods in rational drug design

1991 • 34 citations

Predicting secondary structures of membrane proteins with neural networks

1993 • 34 citations

Artificial neural networks: Application and chance effects for QSAR data analysis

1992 • 34 citations

Regression analysis for QSAR using neural networks

1992 • 32 citations

Neural networks studies : quantitative structure-activity relationship of mutagenic aromatic nitro compounds

1993 • 30 citations

Structure-odor relationships using neural networks

1991 • 28 citations

NEURAL NETWORKS APPLIED TO PEARMACEUTICAL PROBLEMS. I. METHOD AND APPLICATION TO DECISION MAKING

1989 • 24 citations

Artificial Intelligence in Chemistry

1992 • 23 citations

Prediction of water binding sites on proteins by neural networks

1992 • 23 citations

Artificial neural networks applied to the quantitative structure—activity relationship study of dihydropteridine reductase inhibitors

1993 • 21 citations

Neural network classification of inductive and resonance effects of substituents

1993 • 19 citations

A note on the low-dimensional display of multivariate data using neural networks

1993 • 15 citations

Peptides secondary structure prediction with neural networks: a criterion for building appropriate learning sets

1993 • 14 citations

Limitations of Functional‐Link Nets as Applied to QSAR Data Analysis

1994 • 12 citations

Prediction of protein secondary structure by an enhanced neural network.

1991 • 12 citations

Estimation of the Aqueous Solubility of Organic Compounds

1988 • 11 citations

Neural network technology and its application in chemical research

1990 • 10 citations

Quantitative structure -actvity relationship studies of aromatic and heteroaromatic nitro compounds using neural network

1993 • 10 citations

Comparison of the Functional-Link Net and the Generalized Delta Rule Net in Quantitative Structure-Activity Relationship Studies.

1992 • 8 citations

Artificial neural network modeling of adsorptive separation

1993 • 8 citations

Prediction of the histidine-95 pK a perturbation in triosephosphate isomerase using an electrostatically trained neural network (SONNIC)

1992 • 6 citations

ChemInform Abstract: Some Developments in Expert Systems in Chemistry

1988 • 5 citations

Commentary on “neural networks in pharmacodynamic modeling. Is current modeling practice of complex kinetic systems at a dead end?”

1992 • 4 citations

Response to Siegel's commentary

1992 • 2 citations

Application of Computational Neural Networks to the Prediction of Protein Structural Features

1993 • 1 citations

Deleted Work

1955 • 0 citations