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Dr. Sam Webb, Principal Research Cheminformatician

Name: Dr. Sam Webb

Job Title: Principal Research Cheminformatician 

My name is Sam and after I graduated with a BSc in Chemistry (University of Surrey) I joined Lhasa Limited to work on a Knowledge Transfer Partnership and to complete a PhD in Computing. My PhD entailed investigating interpretable machine learning for (Q)SAR which resulted in the development of an algorithm to interpret and extract toxicophores from binary classification models.

I now work as a cheminformtician at Lhasa where I’m involved in developing some of our open source contributions, writing internal tools and working on research projects to benefit our current and future products. You’ll find me typically arguing working with varying combinations of data, SQL, Java, R, KNIME, python, JavaScript and Angular.

View some of Sam's publications in our online library.

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