5 papers
Elucidating the Size of Chemical Space with Assembly Theory
Juan Carlos Morales Parra, Keith Y Patarroyo, Abhishek Sharma +2
Chemical space is unimaginably vast with common heuristic estimates suggesting that there are ca. 10^60 'drug-like' molecules possible below a molecular mass of 500 Da. However, th…
Quantifying the Emergence of Selection Prior to Biological Evolution
Michael Jirasek, Abhishek Sharma, Mary Wong +2
Selection is central to biological evolution, yet there has been no general experimental framework for quantifying selection in chemical systems before life. Here we demonstrate th…
Exploring molecular assembly as a biosignature using mass spectrometry and machine learning
Lindsay A. Rutter, Abhishek Sharma, Ian Seet +3
Molecular assembly offers a promising path to detect life beyond Earth, while minimizing assumptions based on terrestrial life. As mass spectrometers will be central to upcoming So…
Constructing the Molecular Tree of Life using Assembly Theory and Mass Spectrometry
Amit Kahana, Alasdair MacLeod, Hessam Mehr +5
Here we demonstrate the first biochemistry-agnostic approach to map evolutionary relationships at the molecular scale, allowing the construction of phylogenetic models using mass s…
Validation of the Scientific Literature via Chemputation Augmented by Large Language Models
Sebastian Pagel, Michael Jirasek, Leroy Cronin
Chemputation is the process of programming chemical robots to do experiments using a universal symbolic language, but the literature can be error prone and hard to read due to ambi…