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Application of machine learning to mapping primary causal factors in self reported safety narratives

Safety science, 2015-06, Vol.75, p.118-129

2015

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Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery Data

Journal of chemical information and modeling, 2020-06, Vol.60 (6), p.2848-2857

2020

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Imputation of Assay Bioactivity Data Using Deep Learning

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1197-1204

2019

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Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation

Journal of chemical theory and computation, 2018-06, Vol.14 (6), p.3218-3227

2018

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Large-Scale Study of Hydration Environments through Hydration Sites

The journal of physical chemistry. B, 2019-05, Vol.123 (19), p.4220-4229

2019

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Functional movements of the GABA type A receptor

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (28), p.1623-1631

2020

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GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor

Proteins, structure, function, and bioinformatics, 2022-02, Vol.90 (2), p.476-484

2022

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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials

Journal of medicinal chemistry, 2021-11, Vol.64 (22), p.16450-16463

2021

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On the accuracy of one- and two-particle solvation entropies

The Journal of chemical physics, 2017-05, Vol.146 (19), p.194111-194111

2017

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Prediction of GABARAP interaction with the GABA type A receptor

Proteins, structure, function, and bioinformatics, 2018-12, Vol.86 (12), p.1251-1264

2018

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Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

ACS omega, 2023-11, Vol.8 (47), p.44537-44544

2023

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Solid-state stability: the effect of grinding solvated excipients

International journal of pharmaceutics, 1991-09, Vol.75 (2), p.211-218

1991

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Uptake and transport of the ACE-inhibitor ceronapril (SQ 29852) by monolayers of human intestinal absorptive (Caco-2) cells in vitro

International journal of pharmaceutics, 1996-08, Vol.140 (2), p.175-183

1996

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Effect of Hydrophobic Coating on the Behavior of a Hygroscopic Aerosol Powder in an Environment of Controlled Temperature and Relative Humidity

Journal of pharmaceutical sciences, 1990-11, Vol.79 (11), p.1009-1014

1990

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Deep imputation on large‐scale drug discovery data

Applied AI letters, 2021-09, Vol.2 (3), p.n/a

2021

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Ionisation and the effect of absorption enhancers on transport of salicylic acid through silastic rubber and human skin

International journal of pharmaceutics, 2000-12, Vol.210 (1), p.69-82

2000

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PII: S1461-5347(99)00135-2

Pharmaceutical science & technology today, 1999, Vol.2 (3), p.90-90

Irwin, W.J.

1999

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Solid-State Stability of Aspirin in the Presence of Excipients: Kinetic Interpretation Modeling Prediction

Journal of pharmaceutical sciences, 1982-10, Vol.71 (10), p.1096-1101

1982

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Ultrasound-enhanced diffusion into coupling gel during phonophoresis of 5-fluorouracil

International journal of pharmaceutics, 1999-08, Vol.185 (2), p.205-213

1999

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Protection of the enzyme l-asparaginase during lyophilisation—a molecular modelling approach to predict required level of lyoprotectant

International journal of pharmaceutics, 1999-10, Vol.187 (2), p.153-162

1999

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Phonophoresisis it a reality?

International Journal of Pharmaceutics, 1995-05, Vol.118 (2), p.129-149

1995

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Sample-solvent-induced peak broadening in the reversed-phase high-performance liquid chromatography of Aspirin and related analgesics

Journal of Chromatography A, 1980-06, Vol.194 (2), p.217-223

1980

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Phonophoresis of hydrocortisone with enhancers: an acoustically defined model

International journal of pharmaceutics, 1998-08, Vol.170 (2), p.157-168

1998

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Hydrolysis of peptides in sheep nasal mucosa

Journal of controlled release, 1992-07, Vol.21 (1), p.209-209

1992

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Controlled release of biologically active agents

Endeavour (New series), 1988-01, Vol.12 (1), p.51

Irwin, W.J

1988

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Application of machine learning to mapping primary causal factors in self reported safety narratives

Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery Data

Imputation of Assay Bioactivity Data Using Deep Learning

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation

Large-Scale Study of Hydration Environments through Hydration Sites

Functional movements of the GABA type A receptor

GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor

An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials

On the accuracy of one- and two-particle solvation entropies

Prediction of GABARAP interaction with the GABA type A receptor

Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

Solid-state stability: the effect of grinding solvated excipients

Uptake and transport of the ACE-inhibitor ceronapril (SQ 29852) by monolayers of human intestinal absorptive (Caco-2) cells in vitro

Effect of Hydrophobic Coating on the Behavior of a Hygroscopic Aerosol Powder in an Environment of Controlled Temperature and Relative Humidity

Deep imputation on large‐scale drug discovery data

Ionisation and the effect of absorption enhancers on transport of salicylic acid through silastic rubber and human skin

PII: S1461-5347(99)00135-2

Solid-State Stability of Aspirin in the Presence of Excipients: Kinetic Interpretation Modeling Prediction

Ultrasound-enhanced diffusion into coupling gel during phonophoresis of 5-fluorouracil

Protection of the enzyme l-asparaginase during lyophilisation—a molecular modelling approach to predict required level of lyoprotectant

Phonophoresisis it a reality?

Sample-solvent-induced peak broadening in the reversed-phase high-performance liquid chromatography of Aspirin and related analgesics

Phonophoresis of hydrocortisone with enhancers: an acoustically defined model

Hydrolysis of peptides in sheep nasal mucosa

Controlled release of biologically active agents

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