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In vitro cytotoxicity and structure-activity relationship approaches of ent-kaurenoic acid derivatives against human breast carcinoma cell line

Phytochemistry (Oxford), 2018-12, Vol.156, p.214-223

2018

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The successive projections algorithm

TrAC, Trends in analytical chemistry (Regular ed.), 2013-01, Vol.42, p.84-98

2013

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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Antitumor Activity of Anthrapyrazole Derivatives

International journal of molecular sciences, 2022-05, Vol.23 (9), p.5132

2022

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Multivariate image analysis applied to quantitative structure–activity relationships and docking studies of recent hydroxyphenylpyruvate deoxygenase inhibitors

Journal of the science of food and agriculture, 2023-08, Vol.103 (11), p.5231-5241

2023

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HCVpred: A web server for predicting the bioactivity of hepatitis C virus NS5B inhibitors

Journal of computational chemistry, 2020-07, Vol.41 (20), p.1820-1834

2020

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Prediction of Inhibition Activity of Dihydrofolate Reductase Inhibitors With Multivariate Adaptive Regression Splines

IEEE access, 2023, Vol.11, p.50595-50604

2023

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QSAR applicability domain estimation by projection of the training set in descriptor space: A review

Alternatives to laboratory animals, 2005-10, Vol.33 (5), p.445-459

2005

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Discrete Fourier Transform-Based Multivariate Image Analysis: Application to Modeling of Aromatase Inhibitory Activity

ACS combinatorial science, 2018-02, Vol.20 (2), p.75-81

2018

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Predicting cell-penetrating peptides

Advanced drug delivery reviews, 2008-03, Vol.60 (4), p.572-579

2008

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How Predictable Are Human Stratum Corneum Lipid/Water Partition Coefficients? Assessment and Useful Correlations for Dermal Absorption

Journal of pharmaceutical sciences, 2018-02, Vol.107 (2), p.727-738

2018

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Quantitative Structure–Activity Relationship Analysis of Isosteviol-Related Compounds as Activated Coagulation Factor X (FXa) Inhibitors

Nutrients, 2022-08, Vol.14 (17), p.3521

2022

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High-Tc fullerides

Physica. C, Superconductivity, 2019-06, Vol.561, p.13-17

2019

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MOA-based linear and nonlinear QSAR models for predicting the toxicity of organic chemicals to Vibrio fischeri

Environmental science and pollution research international, 2020-03, Vol.27 (9), p.9114-9125

2020

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The Differential Absorption of a Series of P-Glycoprotein Substrates in Isolated Perfused Lungs from Mdr1a/1b Genetic Knockout Mice can be Attributed to Distinct Physico-Chemical Properties: an Insight into Predicting Transporter-Mediated, Pulmonary Specific Disposition

Pharmaceutical research, 2017-12, Vol.34 (12), p.2498-2516

2017

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Towards molecular design using 2D-molecular contour maps obtained from PLS regression coefficients

Molecular physics, 2017-12, Vol.115 (23), p.3044-3050

2017

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Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors

European journal of medicinal chemistry, 2013-04, Vol.62, p.297-300

2013

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Application of k-means clustering, linear discriminant analysis and multivariate linear regression for the development of a predictive QSAR model on 5-lipoxygenase inhibitors

Chemometrics and intelligent laboratory systems, 2015-04, Vol.143, p.122-129

2015

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Research Topics in Medicines and How Our Board Members Are Engaged in Them

Sakagami, Hiroshi

2022

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Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish

Environmental toxicology and chemistry, 2013-10, Vol.32 (10), p.2217-2225

2013

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Application of quantitative structure-activity relationships for modeling drug and chemical transport across the human placenta barrier: a multivariate data analysis approach

Journal of applied toxicology, 2009-11, Vol.29 (8), p.724-733

2009

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Desenhos de estruturas químicas correlacionam-se com propriedades biológicas: MIA-QSAR

Química nova, 2012, Vol.35 (6), p.1157-1163

2012

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Effect of OATP-binding on the prediction of biliary excretion

Xenobiotica, 2017-07, Vol.47 (7), p.614-631

2017

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Desenhos de estruturas químicas correlacionam-se com propriedades biológicas: MIA-QSAR

Química Nova, 2012, Vol.35 (6), p.1157-1163

2012

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A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data

Journal of pharmaceutical sciences, 2006-10, Vol.95 (10), p.2091-2100

2006

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Analysis of PPAR-α/γ Activity by Combining 2-D QSAR and Molecular Simulation

Molecular informatics, 2013-06, Vol.32 (5-6), p.431-445

2013

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In vitro cytotoxicity and structure-activity relationship approaches of ent-kaurenoic acid derivatives against human breast carcinoma cell line

The successive projections algorithm

Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Antitumor Activity of Anthrapyrazole Derivatives

Multivariate image analysis applied to quantitative structure–activity relationships and docking studies of recent hydroxyphenylpyruvate deoxygenase inhibitors

HCVpred: A web server for predicting the bioactivity of hepatitis C virus NS5B inhibitors

Prediction of Inhibition Activity of Dihydrofolate Reductase Inhibitors With Multivariate Adaptive Regression Splines

QSAR applicability domain estimation by projection of the training set in descriptor space: A review

Discrete Fourier Transform-Based Multivariate Image Analysis: Application to Modeling of Aromatase Inhibitory Activity

Predicting cell-penetrating peptides

How Predictable Are Human Stratum Corneum Lipid/Water Partition Coefficients? Assessment and Useful Correlations for Dermal Absorption

Quantitative Structure–Activity Relationship Analysis of Isosteviol-Related Compounds as Activated Coagulation Factor X (FXa) Inhibitors

High-Tc fullerides

MOA-based linear and nonlinear QSAR models for predicting the toxicity of organic chemicals to Vibrio fischeri

The Differential Absorption of a Series of P-Glycoprotein Substrates in Isolated Perfused Lungs from Mdr1a/1b Genetic Knockout Mice can be Attributed to Distinct Physico-Chemical Properties: an Insight into Predicting Transporter-Mediated, Pulmonary Specific Disposition

Towards molecular design using 2D-molecular contour maps obtained from PLS regression coefficients

Introducing new dimensions in MIA-QSAR: a case for chemokine receptor inhibitors

Application of k-means clustering, linear discriminant analysis and multivariate linear regression for the development of a predictive QSAR model on 5-lipoxygenase inhibitors

Research Topics in Medicines and How Our Board Members Are Engaged in Them

Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish

Application of quantitative structure-activity relationships for modeling drug and chemical transport across the human placenta barrier: a multivariate data analysis approach

Desenhos de estruturas químicas correlacionam-se com propriedades biológicas: MIA-QSAR

Effect of OATP-binding on the prediction of biliary excretion

Desenhos de estruturas químicas correlacionam-se com propriedades biológicas: MIA-QSAR

A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data

Analysis of PPAR-α/γ Activity by Combining 2-D QSAR and Molecular Simulation

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