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Prediction of Drug Absorption Using Multivariate Statistics

Journal of medicinal chemistry, 2000-10, Vol.43 (21), p.3867-3877

2000

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Can we use docking and scoring for hit-to-lead optimization?

Journal of computer-aided molecular design, 2008-03, Vol.22 (3-4), p.161-168

2008

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Prediction of intestinal permeability

Advanced drug delivery reviews, 2002-03, Vol.54 (3), p.273-289

2002

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Outlier Detection in Multivariate Analytical Chemical Data

Analytical chemistry (Washington), 1998-06, Vol.70 (11), p.2372-2379

1998

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Measurement of Carboxyhemoglobin in Forensic Blood Samples Using UV-Visible Spectrometry and Improved Principal Component Regression

Applied spectroscopy, 1999-02, Vol.53 (2), p.218-225

1999

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In silico prediction of drug safety: despite progress there is abundant room for improvement

Drug discovery today. Technologies, 2004-12, Vol.1 (4), p.381-387

2004

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Forensic discrimination of photocopy and printer toners II. Discriminant analysis applied to infrared reflection-absorption spectroscopy

Analytical and bioanalytical chemistry, 2003-08, Vol.376 (8), p.1279-1285

2003

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Computation of the physio-chemical properties and data mining of large molecular collections

Journal of computational chemistry, 2002-01, Vol.23 (1), p.172-183

2002

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Forensic discrimination of photocopy and printer toners. III. Multivariate statistics applied to scanning electron microscopy and pyrolysis gas chromatography/mass spectrometry

Analytical and bioanalytical chemistry, 2003-08, Vol.376 (8), p.1286-1297

2003

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Clinical outcome and pharmacokinetics after addition of low‐dose cyclosporine to methotrexate: A case study of five patients with treatment‐resistant inflammatory bowel disease

Inflammatory bowel diseases, 2000-11, Vol.6 (4), p.286-289

2000

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Rapid optimization and minimal complexity in computational neural network multivariate calibration of chlorinated hydrocarbons using Raman spectroscopy

Journal of chemometrics, 2001-01, Vol.15 (1), p.29-48

2001

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Plasma and rectal adenosine in inflammatory bowel disease: Effect of methotrexate

Inflammatory bowel diseases, 1999-08, Vol.5 (3), p.167-173

1999

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Prediction of intestinal permeability: Computational methods for the prediction of ADME and toxicity

Advanced drug delivery reviews, 2002, Vol.54 (3), p.273-289

2002

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Chapter 29 Computational Models for ADME

Annual Reports in Medicinal Chemistry, 2007, Vol.42, p.449-467

Egan, William J.

2007

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Guiding molecules towards drug-likeness

Current opinion in drug discovery & development, 2002-07, Vol.5 (4), p.540

2002

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Comments on three-way analyses used for batch process data

Journal of chemometrics, 2001-01, Vol.15 (1), p.19-27

Smilde, Age K.

2001

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A Statistical-Based Approach To Assessing the Fidelity of Combinatorial Libraries Encoded with Electrophoric Molecular Tags. Development and Application of Tag Decode-Assisted Single Bead LC/MS Analysis

Journal of combinatorial chemistry, 2000-11, Vol.2 (6), p.716-731

2000

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Design and Verification of a Turbofan Swirl Augmentor

Journal of aircraft, 1979-09, Vol.16 (9), p.599-604

1979

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Pyrolysis gas chromatography/mass spectrometry investigation of a thermally cured polymer

Journal of analytical and applied pyrolysis, 1998-03, Vol.45 (1), p.23-40

1998

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Penetration and mixing of multiple gas jets subjected to a cross flow

AIAA journal, 1971-04, Vol.9 (4), p.718-724

1971

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Acquired Afibrinogenemia in Pregnancy

The New England journal of medicine, 1949-04, Vol.240 (15), p.596-598

1949

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Combinatorial chemistry and high-throughput screening in drug discovery and development

Handbook of Modern Pharmaceutical Analysis, 2001, Vol.3, p.23-56

2001

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Optimization of Gas Turbine Combustor Stoichiometry for Expanded Operating Regime

Journal of energy, 1981-09, Vol.5 (5), p.289-297

1981

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Mesothelioma of the pleura in a child

American journal of diseases of children (1911), 1950-07, Vol.80 (1), p.85

1950

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Resistant Hypertension: Detection, Evaluation, and Management: A Scientific Statement From the American Heart Association

Hypertension (Dallas, Tex. 1979), 2018-11, Vol.72 (5), p.e53-e90

2018

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Prediction of Drug Absorption Using Multivariate Statistics

Can we use docking and scoring for hit-to-lead optimization?

Prediction of intestinal permeability

Outlier Detection in Multivariate Analytical Chemical Data

Measurement of Carboxyhemoglobin in Forensic Blood Samples Using UV-Visible Spectrometry and Improved Principal Component Regression

In silico prediction of drug safety: despite progress there is abundant room for improvement

Forensic discrimination of photocopy and printer toners II. Discriminant analysis applied to infrared reflection-absorption spectroscopy

Computation of the physio-chemical properties and data mining of large molecular collections

Forensic discrimination of photocopy and printer toners. III. Multivariate statistics applied to scanning electron microscopy and pyrolysis gas chromatography/mass spectrometry

Clinical outcome and pharmacokinetics after addition of low‐dose cyclosporine to methotrexate: A case study of five patients with treatment‐resistant inflammatory bowel disease

Rapid optimization and minimal complexity in computational neural network multivariate calibration of chlorinated hydrocarbons using Raman spectroscopy

Plasma and rectal adenosine in inflammatory bowel disease: Effect of methotrexate

Prediction of intestinal permeability: Computational methods for the prediction of ADME and toxicity

Chapter 29 Computational Models for ADME

Guiding molecules towards drug-likeness

Comments on three-way analyses used for batch process data

A Statistical-Based Approach To Assessing the Fidelity of Combinatorial Libraries Encoded with Electrophoric Molecular Tags. Development and Application of Tag Decode-Assisted Single Bead LC/MS Analysis

Design and Verification of a Turbofan Swirl Augmentor

Pyrolysis gas chromatography/mass spectrometry investigation of a thermally cured polymer

Penetration and mixing of multiple gas jets subjected to a cross flow

Acquired Afibrinogenemia in Pregnancy

Combinatorial chemistry and high-throughput screening in drug discovery and development

Optimization of Gas Turbine Combustor Stoichiometry for Expanded Operating Regime

Mesothelioma of the pleura in a child

Resistant Hypertension: Detection, Evaluation, and Management: A Scientific Statement From the American Heart Association

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