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Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening

Journal of chemical information and modeling, 2017-07, Vol.57 (7), p.1579-1590

2017

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Practical Model Selection for Prospective Virtual Screening

Journal of chemical information and modeling, 2019-01, Vol.59 (1), p.282-293

2019

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Minkowski Tensor Shape Analysis of Cellular, Granular and Porous Structures

Advanced materials (Weinheim), 2011-06, Vol.23 (22-23), p.2535-2553

2011

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An Amorphous Teflate Doped Aluminium Chlorofluoride: A Solid Lewis‐Superacid for the Dehydrofluorination of Fluoroalkanes

ChemCatChem, 2023-04, Vol.15 (7), p.n/a

2023

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Tribological and mechanical properties of Ti/TiAlN/TiAlCN nanoscale multilayer PVD coatings deposited on AISI H11 hot work tool steel

Applied surface science, 2014-11, Vol.318, p.180-190

2014

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Fluorine magic: one new organofluorine linker leads to three new metal–organic frameworks

CrystEngComm, 2015-01, Vol.17 (2), p.353-360

2015

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Experimental and numerical investigation into iron ore reduction in packed beds

Chemical engineering science, 2016-02, Vol.140, p.189-200

2016

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Refining Genotypes and Phenotypes in KCNA2 -Related Neurological Disorders

International journal of molecular sciences, 2021-03, Vol.22 (6), p.2824

2021

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Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries

Journal of chemical information and modeling, 2023-09, Vol.63 (17), p.5513-5528

2023

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A Novel UPLC-MS/MS Method Identifies Organ-Specific Dipeptide Profiles

International journal of molecular sciences, 2021-09, Vol.22 (18), p.9979

2021

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Using ChEMBL to Complement Schistosome Drug Discovery

Pharmaceutics, 2023-04, Vol.15 (5), p.1359

2023

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A Global Cndp1-Knock-Out Selectively Increases Renal Carnosine and Anserine Concentrations in an Age- and Gender-Specific Manner in Mice

International journal of molecular sciences, 2020-07, Vol.21 (14), p.4887

2020

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Biemamides A–E, Inhibitors of the TGF‑β Pathway That Block the Epithelial to Mesenchymal Transition

Organic letters, 2018-09, Vol.20 (18), p.5529-5532

2018

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Time dependence of NMR observables reveals salient differences in the accumulation of early aggregated species between human islet amyloid polypeptide and amyloid-β

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (14), p.9561-9573

2018

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Calorimetric process monitoring of thermal decomposition of B–N–H compounds

Thermochimica acta, 2000-01, Vol.343 (1), p.19-25

2000

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Adsorbate-driven morphological changes on Cu(111) nano-pits

Physical chemistry chemical physics : PCCP, 2015-02, Vol.17 (5), p.332-338

2015

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Insights on the Lewis Superacid Al(OTeF5)3: Solvent Adducts, Characterization and Properties

Chemistry : a European journal, 2022-10, Vol.28 (57), p.e202201958-n/a

2022

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Lactimidomycin, Iso-migrastatin and Related Glutarimide-Containing 12-Membered Macrolides Are Extremely Potent Inhibitors of Cell Migration

Journal of the American Chemical Society, 2009-02, Vol.131 (4), p.1370-1371

2009

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The Tris(pentafluorophenyl)methylium Cation: Isolation and Reactivity

Angewandte Chemie International Edition, 2022-07, Vol.61 (28), p.e202203777-n/a

International ed. in English, 2022

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2-Alkylphosphino-1-boraadamantanes

Chemical communications (Cambridge, England), 2024-08, Vol.60 (69), p.9222-9225

2024

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A Highly Sterically Encumbered Boron Lewis Acid Enabled by an Organotellurium‐Based Ligand

Chemistry : a European journal, 2024-06, Vol.30 (36), p.e202401231-n/a

2024

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[Xe(OTeF)(py)]: a strong oxidizing xenonium() teflate cation with N-donor bases

Chemical communications (Cambridge, England), 2024-02, Vol.6 (13), p.1711-1714

2024

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A High-Throughput Screening Strategy to Identify Inhibitors of SSB Protein–Protein Interactions in an Academic Screening Facility

SLAS discovery, 2018-01, Vol.23 (1), p.94-101

2018

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Fluorescent and Water Dispersible Single‐Chain Nanoparticles: Core–Shell Structured Compartmentation

Angewandte Chemie International Edition, 2021-03, Vol.60 (14), p.7820-7827

International ed. in English, 2021

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Air-stable aryl derivatives of pentafluoroorthotellurate

Chemical communications (Cambridge, England), 2022-08, Vol.58 (69), p.9694-9697

2022

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Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening

Practical Model Selection for Prospective Virtual Screening

Minkowski Tensor Shape Analysis of Cellular, Granular and Porous Structures

An Amorphous Teflate Doped Aluminium Chlorofluoride: A Solid Lewis‐Superacid for the Dehydrofluorination of Fluoroalkanes

Tribological and mechanical properties of Ti/TiAlN/TiAlCN nanoscale multilayer PVD coatings deposited on AISI H11 hot work tool steel

Fluorine magic: one new organofluorine linker leads to three new metal–organic frameworks

Experimental and numerical investigation into iron ore reduction in packed beds

Refining Genotypes and Phenotypes in KCNA2 -Related Neurological Disorders

Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries

A Novel UPLC-MS/MS Method Identifies Organ-Specific Dipeptide Profiles

Using ChEMBL to Complement Schistosome Drug Discovery

A Global Cndp1-Knock-Out Selectively Increases Renal Carnosine and Anserine Concentrations in an Age- and Gender-Specific Manner in Mice

Biemamides A–E, Inhibitors of the TGF‑β Pathway That Block the Epithelial to Mesenchymal Transition

Time dependence of NMR observables reveals salient differences in the accumulation of early aggregated species between human islet amyloid polypeptide and amyloid-β

Calorimetric process monitoring of thermal decomposition of B–N–H compounds

Adsorbate-driven morphological changes on Cu(111) nano-pits

Insights on the Lewis Superacid Al(OTeF5)3: Solvent Adducts, Characterization and Properties

Lactimidomycin, Iso-migrastatin and Related Glutarimide-Containing 12-Membered Macrolides Are Extremely Potent Inhibitors of Cell Migration

The Tris(pentafluorophenyl)methylium Cation: Isolation and Reactivity

2-Alkylphosphino-1-boraadamantanes

A Highly Sterically Encumbered Boron Lewis Acid Enabled by an Organotellurium‐Based Ligand

[Xe(OTeF)(py)]: a strong oxidizing xenonium() teflate cation with N-donor bases

A High-Throughput Screening Strategy to Identify Inhibitors of SSB Protein–Protein Interactions in an Academic Screening Facility

Fluorescent and Water Dispersible Single‐Chain Nanoparticles: Core–Shell Structured Compartmentation

Air-stable aryl derivatives of pentafluoroorthotellurate

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