Artificial intelligence (AI) – Page 5
-
ResearchAI enantioselectivity predictor set to power computational catalyst screening
Workflow involves mapping a reaction representation onto the activation energy of the stereocontrolling step
-
WebinarA recipe for success in exploiting machine learning and data science
Join us to discover how data science and big data are revolutionising decision making – and why claims that experts are no longer needed are misleading
-
OpinionLearning the language of chemistry
Artificial intelligence works out the grammar of chemical reactions
-
WebinarStatistics versus machine learning: should we all learn artificial intelligence?
Join us to understand the limitations of deep learning & why advanced statistical modelling is still needed – both in academic curricula and in the toolbox of any scientist or engineer
-
-
ResearchMachine learning tool sets out to find new antimicrobial peptides
IBM researchers say their fully automated AI-driven system could speed up the discovery of molecules for novel antibiotics
-
BusinessPatent applications listing AI as an inventor run into legal problems
Artificial intelligence is increasingly being used to find new chemical compounds and repurpose drugs, but should laws be updated to protect the intellectual property of such discoveries?
-
-
OpinionBehind the screens of AlphaFold
Predicting protein structure doesn’t necessarily say much about function
-
NewsTen chemistry innovations that Iupac says could change the world
How chemistry can tackle plastic recycling, climate change and Covid-19 among other challenges
-
ArticleAI and digital simulation for better medicines, made faster
Revolutionising pharma with next-generation technology to optimise and accelerate drug production processes
-
ResearchMachine-learning software competes with human experts to optimise organic reactions
Researchers say the tool is an inexpensive approach to yield optimisation for chemistry labs that can’t afford robots
-
ResearchMachine-designed natural product syntheses pass ‘Turing test’ for chemistry
Software updates allow Chematica to design sophisticated synthetic pathways, planning each step four or five moves ahead
-
OpinionLetters: November 2020
Readers share how they’ve adapted to Covid-19, and muse on AI and the liberating impacts of chemistry
-
ResearchIBM seeks to simplify robotic chemistry
RoboRXN system extends AI approach to extracting and checking chemistry information from patent literature to programming automation
-
-
ResearchYour new labmate does 700 reactions in eight days – and it’s a robot
Robotic chemist optimises water-splitting photocatalyst by working continuously for eight days even in complete darkness
-
ResearchAlgorithm devises synthetic contingency plans for Covid-19 drug
Retrosynthesis software tool can identify multiple synthetic routes that use inexpensive and diverse starting materials while avoiding patented methods
-
OpinionCollaboration is key to AI-aided drug discovery
The AI Cures project shows how artificial intelligence can assist the search for a cure for Covid-19
-
OpinionTime for a clear stance on raw NMR data storage
Impressive technological tools are pointless without data transparency