D. Green

发表

Combinatorial Library Design Using a Multiobjective Genetic Algorithm

Peter J. Fleming, Darren V. S. Green, Peter Willett, 2002, J. Chem. Inf. Comput. Sci..

Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination.

J. Gittins, A. Leach, John Bradshaw, 2001 .

Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination

Darren V. S. Green, Andrew R. Leach, Gavin Harper, 2001, J. Chem. Inf. Comput. Sci..

Impact of high-throughput screening in biomedical research

D. Bojanic, D. Green, R. Macarrón, 2011, Nature Reviews Drug Discovery.

Thousands of chemical starting points for antimalarial lead identification

James R. Brown, L. Cardon, C. E. Peishoff, 2010, Nature.

Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties

Darren V. S. Green, John Bradshaw, Peter Willett, 1999, J. Chem. Inf. Comput. Sci..

Modelling Structure‐Activity Relationships

Darren V. S. Green, Emanuela Gancia, Gianpaolo Bravi, 2000 .

Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity.

Darren V S Green, A. Hill, D. Green, 2011, Drug discovery today.

Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors

Agastya P. Bhati, P. Coveney, I. Wall, 2022, J. Chem. Inf. Model..

Quality guidelines for oral drug candidates: dose, solubility and lipophilicity.

P. Leeson, D. Green, M. Bayliss, 2016, Drug discovery today.

Biaryl acids: novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2.

D. Stammers, D. Green, C. Price, 1998, Bioorganic & medicinal chemistry letters.

Virtual screening of chemical libraries for drug discovery

Darren Vs Green, D. Green, 2008, Expert opinion on drug discovery.

MAIP: a web service for predicting blood‐stage malaria inhibitors

A. Leach, Preeti Iyer, D. Green, 2020, Journal of Cheminformatics.

MAIP: A Prediction Platform for Predicting Blood-Stage Malaria Inhibitors

A. Leach, Preeti Iyer, D. Green, 2020 .

Guidelines for RNN Transfer Learning Based Molecular Generation of Focussed Libraries.

Silvia Amabilino, Stephen D Pickett, Peter Pogany, 2020, Journal of chemical information and modeling.

Integration of Lead Discovery Tactics and the Evolution of the Lead Discovery Toolbox

Melanie Leveridge, Chun-Wa Chung, Jeffrey W Gross, 2018, SLAS discovery : advancing life sciences R & D.

Optimizing the Size and Configuration of Combinatorial Libraries

Trudi Wright, Darren V. S. Green, Valerie J. Gillet, 2003, J. Chem. Inf. Comput. Sci..

Designing focused libraries using MoSELECT.

Peter Willett, Valerie J Gillet, Peter J Fleming, 2002, Journal of molecular graphics & modelling.

PLUMS: a Program for the Rapid Optimization of Focused Libraries

Darren V. S. Green, Andrew R. Leach, Gianpaolo Bravi, 2000, J. Chem. Inf. Comput. Sci..

Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design

Darren V. S. Green, Andrew R. Leach, John Bradshaw, 1999, J. Chem. Inf. Comput. Sci..

WONKA and OOMMPPAA: analysis of protein–ligand interaction data to direct structure-based drug design

Charlotte M. Deane, Darren V. S. Green, Anthony R. Bradley, 2017, Acta crystallographica. Section D, Structural biology.

WONKA: objective novel complex analysis for ensembles of protein–ligand structures

Charlotte M. Deane, Darren V. S. Green, Anthony R. Bradley, 2015, Journal of Computer-Aided Molecular Design.

Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational Study

Peter V Coveney, Shunzhou Wan, Agastya P Bhati, 2016, Journal of chemical theory and computation.

Biaryl acids: novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2.

D. Stammers, D. Green, C. Price, 1998, Bioorganic & medicinal chemistry letters.

Virtual screening of virtual libraries.

Darren V S Green, D. Green, 2003, Progress in medicinal chemistry.

BRADSHAW: a system for automated molecular design

Darren V. S. Green, Stefan Senger, Adam Powell, 2019, Journal of Computer-Aided Molecular Design.

The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data.

G. Harper, G. S. Bravi, S. D. Pickett, 2004, Journal of chemical information and computer sciences.

QSAR workbench: automating QSAR modeling to drive compound design

Darren V. S. Green, Richard Cox, Stephen D. Pickett, 2013, Journal of Computer-Aided Molecular Design.

Multiobjective optimization in quantitative structure-activity relationships: deriving accurate and interpretable QSARs.

Valerie J Gillet, Orazio Nicolotti, Darren V S Green, 2002, Journal of medicinal chemistry.

Design of a compound screening collection for use in high throughput screening.

S D Pickett, D. Green, G. Harper, 2004, Combinatorial chemistry & high throughput screening.

Application of high-throughput screening techniques to drug discovery.

B Cox, J C Denyer, A Binnie, 2000 .

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition

Julie Clark, Andreas Verras, Chris L. Waller, 2017, J. Chem. Inf. Model..

The impact of diversity-based, high-throughput screening on drug discovery: "chance favours the prepared mind".

Michael Snowden, Darren Vs Green, D. Green, 2008, Current opinion in drug discovery & development.

Research Papers) Design of a Compound Screening Collection for use in High Throughput Screening

Stephen D. Pickett, Gavin Harper, D. V.S. Green, 2004 .

The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data

Darren V. S. Green, Gavin Harper, Stephen D. Pickett, 2005, J. Chem. Inf. Model..

Synthesis and anti-HIV-1 activity of a series of imidazo[1,5-b]pyridazines.

M. Hann, D. Green, R. Bethell, 1993, Journal of medicinal chemistry.

Synthesis and anti‐HIV‐1 Activity of a Series of Imidazo(1,5‐b) pyridazines.

T. Willson, M. Hann, D. Green, 1994 .

Automated Lead Optimization of MMP-12 Inhibitors Using a Genetic Algorithm.

Ian Hughes, Stephen D Pickett, Darren V S Green, 2011, ACS medicinal chemistry letters.

A Turing test for molecular generators.

Darren L. Poole, D. Green, S. Pickett, 2020, Journal of medicinal chemistry.

Molecular clinical safety intelligence: a system for bridging clinically focused safety knowledge to early-stage drug discovery - the GSK experience.

Darren V S Green, Dana E Vanderwall, David Fram, 2011, Drug discovery today.

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.

Lewis H. Mervin, Djork-Arné Clevert, T. Morawietz, 2023, Journal of chemical information and modeling.

Data-driven reactivity prediction of targeted covalent inhibitors using computed quantum features for drug discovery

D. Green, S. Genway, M. Kowalik, 2023, 2307.09671.

Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.

Darren V. S. Green, Peter Willett, Valerie J. Gillet, 1999 .

Computational Chemistry, Molecular Complexity and Screening Set Design

Darren V. S. Green, Andrew R. Leach, Michael M. Hann, 2005 .

Nuisance Compounds, PAINS Filters, and Dark Chemical Matter in the GSK HTS Collection

Stephen D Pickett, Darren V S Green, Subhas J Chakravorty, 2018, SLAS discovery : advancing life sciences R & D.

Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection

Darren V. S. Green, Andrew R. Leach, Andrew C. Good, 2000, J. Chem. Inf. Comput. Sci..

Search for relevant subsets of binary predictors in high dimensional regression for discovering the lead molecule

Debora Slanzi, Irene Poli, Darren V S Green, 2021, Pharmaceutical statistics.

Benzophenone derivatives: a novel series of potent and selective inhibitors of human immunodeficiency virus type 1 reverse transcriptase.

D. Green, P. Wyatt, R. Bethell, 1995, Journal of medicinal chemistry.

Knowledge from Small-Molecule Screening and Profiling Data

Paul A Clemons, Darren V S Green, P. Clemons, 2014, Journal of biomolecular screening.

Automated Lead Optimization of MMP-12 Inhibitors Using a Genetic Algorithm.

D. Green, S. Pickett, I. Hughes, 2011, ACS medicinal chemistry letters.