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Journal of Cheminformatics|May 28, 2024
Solvent flashcards: a visualisation tool for sustainable chemistryJoseph Heeley, Samuel Boobier, Jonathan D HirstACS Sustainable Chemistry & Engineering|March 28, 2025
Interactive Knowledge-Based Kernel PCA for Solvent SelectionSamuel Boobier, Joseph Heeley, Thomas Gärtner, et al.Communications Chemistry|May 8, 2024
Machine learning insights into predicting biogas separation in metal-organic frameworksIsabel Cooley, Samuel Boobier, Jonathan D Hirst, et al.Journal of Chemical Information and Modeling|May 8, 2023
AI4Green: An Open-Source ELN for Green and Sustainable ChemistrySamuel Boobier, Joseph C Davies, Ivan N Derbenev, et al.Journal of Cheminformatics|December 15, 2017
Can human experts predict solubility better than computers?Samuel Boobier, Anne Osbourn, John B O MitchellChemical Science|November 23, 2017
Quantitative first principles calculations of protein circular dichroism in the near-ultravioletZhuo Li, Jonathan D HirstBMC Bioinformatics|July 3, 2010
Automatic structure classification of small proteins using random forestPooja Jain, Jonathan D HirstBMC Structural Biology|September 22, 2009
Exploring protein structural dissimilarity to facilitate structure classificationPooja Jain, Jonathan D HirstBMC Bioinformatics|August 3, 2010
Predicting beta-turns and their types using predicted backbone dihedral angles and secondary structuresPetros Kountouris, Jonathan D HirstBMC Bioinformatics|December 23, 2009
Prediction of backbone dihedral angles and protein secondary structure using support vector machinesPetros Kountouris, Jonathan D HirstPageof 13