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Chemical predictive modelling to improve compound quality

Nature reviews. Drug discovery, 2013-12, Vol.12 (12), p.948-962

2013

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From mundane to surprising nonadditivity: drivers and impact on ML models

Journal of computer-aided molecular design, 2024-12, Vol.38 (1), p.26, Article 26

2024

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Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens

ACS medicinal chemistry letters, 2023-07, Vol.14 (7), p.993-998

2023

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Hearing in Indian peafowl (Pavo cristatus): sensitivity to infrasound

Journal of Comparative Physiology, 2020-11, Vol.206 (6), p.899-906

2020

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Closed Ranks: An Experiment in Mental Health Education

1, 2013

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Novel Indane-Containing NBTIs with Potent Anti-Gram-Negative Activity and Minimal hERG Inhibition

ACS medicinal chemistry letters, 2023-12, Vol.14 (12), p.1791-1799

2023

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Better compounds faster: the development and exploitation of a desktop predictive chemistry toolkit

Drug discovery today, 2012-09, Vol.17 (17-18), p.923-927

2012

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Costs and Benefits of More Learner Freedom: Meta-Analyses of Exploratory and Learner Control Training Methods

Human factors, 2014-08, Vol.56 (5), p.999-1014

2014

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Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis

Bioorganic & medicinal chemistry letters, 2012-02, Vol.22 (4), p.1655-1659

2012

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Increased Transparency and Resource Prioritization for the Management of Pollutants From Wastewater Treatment Plants: A National Perspective From Australia

Frontiers in Marine Science, 2020-09, Vol.7

2020

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Automated QSAR with a Hierarchy of Global and Local Models

Molecular informatics, 2011-12, Vol.30 (11-12), p.960-972

2011

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The Influence of Cognitive Load on Transfer With Error Prevention Training Methods: A Meta-Analysis

Human factors, 2013-08, Vol.55 (4), p.854-874

2013

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Discovery and Characterization of MAPK-activated Protein Kinase‑2 Prevention of Activation Inhibitors

Journal of medicinal chemistry, 2015-01, Vol.58 (1), p.278-293

2015

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Utility of reflexive semen cultures for detecting bacterial infections in patients with infertility and leukocytospermia

Fertility and sterility, 2009-04, Vol.91 (4), p.1486-1488

2009

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Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R‑Group Fingerprints Provide Interpretable Nonlinear Models?

Journal of chemical information and modeling, 2014-04, Vol.54 (4), p.1117-1128

2014

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The case for open computer programs

Nature (London), 2012-02, Vol.482 (7386), p.485-488

2012

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Potential strategies for increasing drug-discovery productivity

Future medicinal chemistry, 2014-04, Vol.6 (5), p.515-527

2014

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The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity

Bioorganic & medicinal chemistry letters, 2012-06, Vol.22 (12), p.3895-3899

2012

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Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase

Bioorganic & medicinal chemistry letters, 2004-11, Vol.14 (21), p.5389-5394

2004

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The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases

Bioorganic & medicinal chemistry letters, 2012-06, Vol.22 (12), p.3879-3883

2012

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Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis

Bioorganic & medicinal chemistry letters, 2011-06, Vol.21 (11), p.3301-3306

2011

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Stereocontrolled Assembly of Tetrasubstituted Tetrahydrofurans: A Concise Synthesis of Virgatusin

Organic letters, 2005-08, Vol.7 (17), p.3685-3688

2005

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The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis

Bioorganic & medicinal chemistry letters, 2011-03, Vol.21 (5), p.1376-1381

2011

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HOMELESS HIGH SCHOOL STUDENTS IN AMERICA: WHO COUNTS?

Administrative issues journal : education, practice, and research, 2012-11, Vol.2 (2), p.104-111

2012

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Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides

Bioorganic & medicinal chemistry letters, 2005-11, Vol.15 (22), p.5012-5015

2005

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Chemical predictive modelling to improve compound quality

From mundane to surprising nonadditivity: drivers and impact on ML models

Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens

Hearing in Indian peafowl (Pavo cristatus): sensitivity to infrasound

Closed Ranks: An Experiment in Mental Health Education

Novel Indane-Containing NBTIs with Potent Anti-Gram-Negative Activity and Minimal hERG Inhibition

Better compounds faster: the development and exploitation of a desktop predictive chemistry toolkit

Costs and Benefits of More Learner Freedom: Meta-Analyses of Exploratory and Learner Control Training Methods

Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis

Increased Transparency and Resource Prioritization for the Management of Pollutants From Wastewater Treatment Plants: A National Perspective From Australia

Automated QSAR with a Hierarchy of Global and Local Models

The Influence of Cognitive Load on Transfer With Error Prevention Training Methods: A Meta-Analysis

Discovery and Characterization of MAPK-activated Protein Kinase‑2 Prevention of Activation Inhibitors

Utility of reflexive semen cultures for detecting bacterial infections in patients with infertility and leukocytospermia

Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R‑Group Fingerprints Provide Interpretable Nonlinear Models?

The case for open computer programs

Potential strategies for increasing drug-discovery productivity

The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity

Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase

The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases

Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis

Stereocontrolled Assembly of Tetrasubstituted Tetrahydrofurans: A Concise Synthesis of Virgatusin

The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis

HOMELESS HIGH SCHOOL STUDENTS IN AMERICA: WHO COUNTS?

Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides

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