Digital Discovery
@digital_rsc
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A new #GoldOA journal from @roysocchem, meeting the trend towards greater automation and data-driven scientific techniques head-on. Led by EiC @A_Aspuru_Guzik
Cambridge, UK
Joined June 2021
The RSC's content on digital chemistry - including Digital Discovery! - will soon also appear on LinkedIn. Find us here:
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Digital Discovery is proud to support the 5th EMBL Partnership Conference, "AI in one health", taking place 31 March - 2 April in Heidelberg, Germany. Registration closes 17 February - find out more here:
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Digital Discovery wishes the participants of this week's 1st ICIQ High-Throughput Experimentation Symposium an interesting and enjoyable meeting!
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In this week's first featured article, Liu, Bian, Shao, Hwang and Star demonstrate their automated rapid screening system for sensors, which performs measurements on 96 sensors per run. Find out more in the open access article:
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In today's featured article, Yue, Li et al. benchmark polymer design with a selection of popular generative models, contrasting their behaviour and performance. Discover the capabilities and limitations of these approaches in their open access article:
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In our next featured article, Soh, Hippalgaonkar et al., demonstrate improvements in their automated high-throughput proxy viscometer implemented on an Opentrons OT-2 liquid handler. Find out more in the open access paper:
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In our next featured article, Solé, Gómez-Coca, Aravena, Ruiz-Hidalgo et al. share CartNet, GNN based method to predict anisotropic displacement parameters. Discover the improvements in quality and computational cost in the open access article:
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In our newest featured article, Siemenn, Buonassisi et al. introduce Archerfish, a 3D printing platform retrofit for liquid handling to create a low-cost high-throughput combinatorial printing (HTCP) platform for materials. Read more:
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RT @Ella_Maru: Ella Maru Studio Inc latest cover for the @digital_rsc! ⚗️🧪⚛ This cover was created for a study by @ArashKhajeh, @LeiXiangy…
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In our next featured article, Zenn et al. propose a hybrid method combining molecular descriptors with representation learning, trading off between the two approaches based on uncertainty estimates. Read the open access paper for more
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In this week's first featured article, Winter, Bardow build on their SMILES-to-Properties-Transformer to predict PC-SAFT equation of state parameters. Find out more in the open access article:
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In our newest featuredarticle, Pinheiro, Barbatti et al. introduce ULaMDyn, an open-source automated NAMD analysis package. Read the paper to discover more: and visit the ULaMDyn web site:
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In today's featured article, Jaffal, Lee, Oliynyk et al. introduce an approach to improving predictive uncertainty in solid-state structure prediction combining a Composition Analyzer Featurizer (CAF) and Structure Analyzer Featurizer (SAF). Read more:
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In our newest featured article, Hall et al. combine the PepBD algorithm, evidential deep learning, and metaheuristic search methods to identify high-affinity plastic-binding peptides for microplastic detection and removal. Find out more:
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In our latest featured article, Lam, Laveille et al. present a new workflow for managing data from high-throughput laboratories through ELNs and LIMs. Read the open access paper for more:
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The Editorial Board and staff of #DigitalDiscovery would like to wish our readers, authors and reviewers a Happy Lunar New Year! We hope you have a wonderful beginning to the Year of the Snake 🐍
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In our new featured article, Kangyong Ma develops and tests fine-tuned open source LLMs for chemical science, and evaluates their performance using an automated scorign system. Ma has used this to develop a chemical intelligent assistant system. Read more:
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In our next featured article, Onuorah, Pizzi, Bonfà et al. present an efficient set of algorithms and workflows for automation of muon spin spectroscopy interpretation. Read the open access paper for more:
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Digital Discovery and @PCCP are proud to sponsor prizes at the 6th Manchester Multiscale Conference, taking place 31 March - 2 April. Talk and poster submissions close 3 February - don't miss your chance to participate!
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In this week's first featured article, Linjiang Chen, Fei Zhang, Weiwei Shang, Jun Jiang, et al. introduce a multi-robot-multi-task scheduling system for autonomous chemistry laboratories. Find out more in the open access paper:
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RT @JoshuaSchrier: @digital_rsc has a new article type: Commit! Intended for reporting incremental improvements on one's own—or other's—…
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