D. Macmillan

发表

Design, synthesis and antibacterial activity of minor groove binders: the role of non-cationic tail groups.

C. Clements, A. Khalaf, C. Suckling, 2012, European journal of medicinal chemistry.

In situ detection of pterins by SERS.

R. Wadsworth, K. Faulds, D. Graham, 2009, The Analyst.

Understanding COVID-19 through adverse outcome pathways - 2nd CIAO AOP Design Workshop.

Laure-Alix Clerbaux, N. Garcia-Reyero, Clemens Wittwehr, 2021, ALTEX.

Updating the Dermal Sensitisation Thresholds using an expanded dataset and an in silico expert system.

Mukesh L. Patel, Martyn L. Chilton, D. Roberts, 2022, Regulatory toxicology and pharmacology : RTP.

Development of a solvent selection guide for aldehyde-based direct reductive amination processes

Jane S. Murray, Donna S. Macmillan, Helen F. Sneddon, 2013 .

Evaluation of alternative solvents in common amide coupling reactions: replacement of dichloromethane and N,N-dimethylformamide

Helen F. Sneddon, J. Murray, C. Jamieson, 2013 .

Selective Anti-Leishmanial Strathclyde Minor Groove Binders Using an N-Oxide Tail-Group Modification

Fraser J. Scott, A. Khalaf, C. Suckling, 2022, International journal of molecular sciences.

Modelling Simple Toxicity Endpoints: Alerts, (Q)SARs and Beyond

Alex Cayley, Lilia Fisk, Mukesh L. Patel, 2019, Challenges and Advances in Computational Chemistry and Physics.

How to resolve inconclusive predictions from defined approaches for skin sensitisation in OECD Guideline No. 497.

Martyn L. Chilton, P. Kern, D. Macmillan, 2022, Regulatory toxicology and pharmacology : RTP.

A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert‐derived structure–activity alert spaces

Thomas Steger-Hartmann, Rahul Parakhia, Jedd Hillegass, 2017, Journal of applied toxicology : JAT.

A defined approach for predicting skin sensitisation hazard and potency based on the guided integration of in silico, in chemico and in vitro data using exclusion criteria

Martyn L. Chilton, Donna S. Macmillan, D. Macmillan, 2019, Regulatory toxicology and pharmacology : RTP.

REACHing for solutions: Essential revisions to the EU chemicals regulation to modernise safety assessment.

T. Seidle, C. Willett, D. Macmillan, 2022, Regulatory toxicology and pharmacology : RTP.

Replacement of dichloromethane within chromatographic purification : a guide to alternative solvents

J. Murray, C. Jamieson, A. Watson, 2012 .

Beyond adverse outcome pathways: making toxicity predictions from event networks, SAR models, data and knowledge

Martyn L. Chilton, E. Hill, Emma E Hill, 2021, Toxicology research.

Evaluation of the Global Performance of Eight In Silico Skin Sensitization Models Using Human Data

Alexandra Maertens, Thomas Hartung, Petra Kern, 2020, ALTEX.

Making reliable negative predictions of human skin sensitisation using an in silico fragmentation approach

Rahul Parakhia, Susanne Glowienke, Phillip Bellion, 2018, Regulatory toxicology and pharmacology : RTP.

Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity.

David J. Yeo, R. Tennant, D. Macmillan, 2022, Methods in molecular biology.

Predicting skin sensitisation using a decision tree integrated testing strategy with an in silico model and in chemico/in vitro assays.

Steven J Canipa, Martyn L Chilton, Donna S Macmillan, 2016, Regulatory toxicology and pharmacology : RTP.

Improvements to in silico skin sensitisation predictions through privacy-preserving data sharing.

Martyn L. Chilton, D. Macmillan, J. Hillegass, 2022, Regulatory toxicology and pharmacology : RTP.

COVID-19 through Adverse Outcome Pathways: Building Networks to Better Understand the Disease – 3rd CIAO AOP Design Workshop

Young Jun Kim, Holly M. Mortensen, M. Vinken, 2022, ALTEX.