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QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

Journal of cheminformatics, 2020-05, Vol.12 (1), p.39-16, Article 39

2020

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Parvalbumin deficiency affects network properties resulting in increased susceptibility to epileptic seizures

Molecular and cellular neuroscience, 2004-04, Vol.25 (4), p.650-663

2004

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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Journal of cheminformatics, 2011-04, Vol.3 (Suppl 1), p.P20-P20, Article P20

2011

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QSAR without borders

Chemical Society reviews, 2020-06, Vol.49 (11), p.3525-3564

2020

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Dopamine modulation of glutamate metabotropic receptors in conditioned reaction of sensory motor cortex neurons of the cat

Neuroscience letters, 2004-02, Vol.356 (2), p.127-130

2004

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Dopamine modulation of activity of cat sensorimotor cortex neurons during conditioned reflexes

Neuroscience letters, 2002-09, Vol.330 (2), p.171-174

2002

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

Journal of medicinal chemistry, 1993-04, Vol.36 (7), p.811-814

1993

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Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies

Journal of medicinal chemistry, 2001-07, Vol.44 (15), p.2411-2420

2001

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Beware of proper validation of models for ionic Liquids

Journal of molecular liquids, 2021-12, Vol.344, p.117722, Article 117722

2021

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Data modelling with neural networks: advantages and limitations

Journal of computer-aided molecular design, 1997-03, Vol.11 (2), p.135-142

1997

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Can we estimate the accuracy of ADME–Tox predictions?

Drug discovery today, 2006-08, Vol.11 (15), p.700-707

2006

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Different tonic regulation of neuronal activity in the rat dorsal raphe and medial prefrontal cortex via 5-HT1A receptors

Neuroscience letters, 2001-05, Vol.304 (3), p.129-132

2001

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Prediction of partition coefficient based on atom‐type electrotopological state indices

Journal of pharmaceutical sciences, 1999-02, Vol.88 (2), p.229-233

1999

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Associative neural network

Methods in molecular biology (Clifton, N.J.), 2008, Vol.458, p.185

Tetko, Igor V

2008

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Gene selection from microarray data for cancer classification—a machine learning approach

Computational biology and chemistry, 2005-02, Vol.29 (1), p.37-46

2005

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QSAR-derived affinity fingerprints

Journal of cheminformatics, 2020-05, Vol.12 (1)

2020

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In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions

Current medicinal chemistry, 2006, Vol.13 (2), p.223

2006

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Pharmaceutical Fingerprinting in Phase Space. 1. Construction of Phase Fingerprints

Analytical chemistry (Washington), 1999-07, Vol.71 (13), p.2423-2430

1999

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Optimization models for cancer classification: extracting gene interaction information from microarray expression data

Bioinformatics, 2004-03, Vol.20 (5), p.644-652

2004

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HIV-1 Reverse Transcriptase Inhibitor Design Using Artificial Neural Networks

Journal of medicinal chemistry, 1994-08, Vol.37 (16), p.2520-2526

1994

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Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-State Indices

Journal of Chemical Information and Computer Sciences, 2001-09, Vol.41 (5), p.1407-1421

2001

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Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices

Journal of Chemical Information and Computer Sciences, 2001-11, Vol.41 (6), p.1488-1493

2001

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Differences in locomotor behavior revealed in mice deficient for the calcium-binding proteins parvalbumin, calbindin D-28k or both

Behavioural brain research, 2007-03, Vol.178 (2), p.250-261

2007

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Polynomial Neural Network for Linear and Non-linear Model Selection in Quantitative-Structure Activity Relationship Studies on the Internet

SAR and QSAR in environmental research, 2000-01, Vol.11 (3-4), p.263-280

2000

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The effects of activation of glutamate ionotropic connections of neurons in the sensorimotor cortex in a conditioned reflex

Neuroscience and behavioral physiology, 2003-06, Vol.33 (5), p.479-488

2003

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QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

Parvalbumin deficiency affects network properties resulting in increased susceptibility to epileptic seizures

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

QSAR without borders

Dopamine modulation of glutamate metabotropic receptors in conditioned reaction of sensory motor cortex neurons of the cat

Dopamine modulation of activity of cat sensorimotor cortex neurons during conditioned reflexes

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

Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies

Beware of proper validation of models for ionic Liquids

Data modelling with neural networks: advantages and limitations

Can we estimate the accuracy of ADME–Tox predictions?

Different tonic regulation of neuronal activity in the rat dorsal raphe and medial prefrontal cortex via 5-HT1A receptors

Prediction of partition coefficient based on atom‐type electrotopological state indices

Associative neural network

Gene selection from microarray data for cancer classification—a machine learning approach

QSAR-derived affinity fingerprints

In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions

Pharmaceutical Fingerprinting in Phase Space. 1. Construction of Phase Fingerprints

Optimization models for cancer classification: extracting gene interaction information from microarray expression data

HIV-1 Reverse Transcriptase Inhibitor Design Using Artificial Neural Networks

Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-State Indices

Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices

Differences in locomotor behavior revealed in mice deficient for the calcium-binding proteins parvalbumin, calbindin D-28k or both

Polynomial Neural Network for Linear and Non-linear Model Selection in Quantitative-Structure Activity Relationship Studies on the Internet

The effects of activation of glutamate ionotropic connections of neurons in the sensorimotor cortex in a conditioned reflex

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