Alexander Whiteside
Following a PhD and research work in computational chemistry, I joined the Royal Society of Chemistry as a Publishing Editor in 2016. I’m currently an assistant editor on our open access journals Digital Discovery, RSC Chemical Biology and Sensors and Diagnostics. In addition to my responsibilities as an editor, I also contribute to Chemistry World.
My interests include good coffee, art, cinema, and amateur astronomy.
ResearchAI tool learns to build molecules fragment by fragment
Software tasked with designing a type-II kinase inhibitor suggests 97 candidates in 10 minutes, three of which were both synthesisable and effective at micromolar and nanomolar concentrations
ResearchMelodies make molecules manipulable with musical machine models
Software represents molecules with sounds, rather than text and pictures
ResearchMolecular counterfactuals method helps researchers explain AI predictions
Understanding machine learning predictions by exploring the road not travelled
ResearchDouble aromaticity puts a hex on gallium
Planar hexacoordinate cluster isn’t stable when other group 13 elements replace gallium
ResearchEasy and efficient entropies for everyone
Conformational analysis package gains ability to automatically evaluate entropy
ResearchDFT boosts machine-learning models of nucleophilic aromatic substitution reactions
Best of both worlds for computational organic chemistry predictions
ResearchHydrogen bonds join forces to maximise water–water interaction
Cooperative environment encourages stronger chemistry
ResearchHow the products of fire control the formation of snow
Nadine Borduas-Dedekind brings an organic chemist’s arrow-pushing insight to reactions in the atmosphere
ResearchAutomatic conformer investigator takes tedium out of exploring low-energy chemical space
Quantum chemical calculations drive program that quickly and easily builds up plausible ensembles of molecular conformers
ResearchLanguage-based software’s accurate predictions translate to benefits for chemists
State-of-the-art design for computer language processing results in improved models for predicting chemistry
ResearchUncertainty metric builds confidence in machine learned-chemistry
Calculation will help users recognise when they need to retrain a neural network
ResearchBond order through a molecular orbital lens
Study computes diatomic bond orders across the periodic table and reveals new bonding insights
ResearchSynthesis-searching software’s superior scoring sharpens selections
Realistic costs and diverse suggestions make Chematica more insightful
ResearchMultitasking graphene ink printed into tiny flexible supercapacitors
Screen-printed devices show strength in numbers
ResearchDelocalisation pins down meaning of bond order
Reliable bond order definition provides new insights into covalency
ResearchCarbon bubble-wrap could be packed with interesting behaviour
Theoretical chemists devise nanoscale version of satisfyingly interactive packaging material
ResearchTech red unmasked
An unusual oxide of radioactive technetium reveals its secrets after 50 years
ResearchBenchmark for molecular machine learning
Scientists make open-source database to test programs that learn chemistry
ResearchPlotting a course to new antibiotics
Mapping out the chemical space of peptide antibiotics offers an efficient way to find new compounds