
Dr Matthew Segall
CEO, Optibrium
Matt is CEO of Optibrium. He has a Master of Science in computation from the University of Oxford and a Ph.D. in theoretical physics from the University of Cambridge. As Associate Director at Camitro (UK), ArQule Inc. and then Inpharmatica, he led a team developing predictive ADME models and state-of-the-art intuitive decision-support and visualization tools for drug discovery. In January 2006, he became responsible for management of Inpharmatica's ADME business, including experimental ADME services and the StarDrop software platform. Following acquisition of Inpharmatica, Matt became Senior Director responsible for BioFocus DPI's ADMET division and in 2009 led a management buyout of the StarDrop business to found Optibrium, which develops software and AI solutions for small molecule design, optimisation and data analysis. Matt has published over 30 peer-reviewed papers and book chapters on computational chemistry, cheminformatics and drug discovery.
Appearances
- DateAugust 24, 2021The dissociation of a proton from a heteroatom has a significant influence on the charge distribution and interactions of a molecule…
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CEO, Optibrium - DateMarch 20, 2022Predicting the sensory properties of compounds is challenging, due to the subjective nature of the experimental measurements, which rely on a panel of human participants and are therefore also expensive and time-consuming…
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Sr. Research Investigator, International Flavors and FragrancesSpeakers
Head of Machine Learning, IntellegensCEO, Optibrium - DateAugust 24, 2022We describe a combination of deep learning imputation, compound generation and multi-parameter optimisation (MPO) methods to guide compound optimisation, resulting in the discovery of an active compound targeting a novel anti-malarial mechanism of action…
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CEO, Optibrium - DateAugust 21, 2022Understanding the metabolism of novel compounds at the molecular level is of critical importance for successful drug discovery projects…
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Optibrium Ltd.Speakers
CEO, Optibrium - DateAugust 15, 2023Cloud technologies are the new normal. By exploring new ways to utilize the power of the cloud, organizations can improve their business value, secure their data and improve the user experience while at the same time reducing the total cost of software ownership…
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CEO, Optibrium - DateAugust 17, 2023The full value of an organization’s data is realized through the insights and decisions it informs. Drug discovery data is typically sparse (often >95% unmeasured) and uncertain, making it challenging to make data-based decisions with confidence…
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CEO, OptibriumSpeakers
- DateAugust 15, 2023Unexpected metabolism can lead to the failure of many late-stage drug candidates or even the withdrawal of approved drugs. Therefore, during early research, it is important to predict the sites of metabolism and metabolites of potential drug-like molecules…
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CEO, Optibrium - DateMarch 18, 2024We present a novel AI approach for generative chemistry, rapidly generating new compound designs with improved properties…
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CEO, Optibrium - DateMarch 18, 2024Early prediction of the pharmacokinetics (PK) of compounds in drug discovery enables the prioritisation of compounds with the most appropriate PK for study, saving valuable experimental time and resources…
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CEO, Optibrium - DateMarch 18, 2024Unexpected metabolism can lead to the failure of many late-stage drug candidates or even the withdrawal of approved drugs. Therefore, during early research, it is important to predict the sites of metabolism and metabolites of potential drug-like molecules…
Presenters
CEO, Optibrium - DateMarch 19, 2024The agricultural industry faces challenges due to the emergence of biological resistance and increased stringency of regulatory requirements, necessitating the development of new agrochemical solutions…
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CEO, Optibrium - DateMarch 24, 2025Everyone knows smooth collaboration can speed up successful drug discovery projects…
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Co-Authors
- DateMarch 23, 2025Whilst research has boomed into new AI algorithms, there’s much to be done to harness AI to its fullest potential in drug discovery. In this talk, we’ll explore the key practical considerations that every leader needs to keep in mind to implement AI successfully in their organisation…
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CEO, Optibrium - DateMarch 24, 2025In 2011, Eric Martin and colleagues first introduced the Profile QSAR (pQSAR) method [1,2,3] to predict compound activities using sparse data across multiple endpoints…
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CEO, Optibrium - DateMarch 23, 2025The full value of an organization’s data is realized through the insights it surfaces and decisions it informs. However, drug discovery data is typically sparse (often >95% unmeasured) and uncertain, making it challenging to make data-based decisions with confidence…
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Co-Authors
- DateAugust 18, 2025Nearly all computational methods in the CADD field depend on parameters whose values are derived from various types of experimental data…
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UCSFCo-Authors
- DateAugust 19, 2025The agrochemical industry faces challenges due to the emergence of resistance and the stringency of regulatory requirements…
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