Blog - Kebotixhttps://www.kebotix.com/latest/Tue, 18 Apr 2023 20:53:14 +0000en-USSite-Server v@build.version@ (http://www.squarespace.com)Exploring Pre-Trained Language Models to Build Knowledge Graph for Metal-Organic Frameworks (MOFs)ScienceDennis SheberlaThu, 26 Jan 2023 20:00:00 +0000https://ieeexplore.ieee.org/abstract/document/10020568609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:643f0089f851374cf8d565cbPermalink

]]>Knowledge Graph-Empowered Materials DiscoveryScienceDennis SheberlaThu, 13 Jan 2022 20:00:00 +0000https://ieeexplore.ieee.org/abstract/document/9671503609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:643f02ec6c73383c768721f0Permalink

]]>Cross-Platform Bayesian Optimization System for Autonomous Biological Assay DevelopmentScienceDennis SheberlaTue, 23 Nov 2021 19:44:00 +0000https://journals.sagepub.com/doi/full/10.1177/24726303211053782609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:643ee505a128cb665ca921d5Permalink

]]>Text to insight: Accelerating organic materials knowledge extraction via deep learningScienceDennis SheberlaWed, 13 Oct 2021 20:00:00 +0000https://asistdl.onlinelibrary.wiley.com/doi/abs/10.1002/pra2.497609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:643f033abe738648604bcdf4Permalink

]]>Automatic chemical design using a data-driven continuous representation of molecules, ACS Cent. Sci. 2018, 4, 268–276ScienceGuest UserSun, 22 Aug 2021 23:11:00 +0000https://pubs.acs.org/doi/abs/10.1021/acscentsci.7b00572609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:61315a29df64cb1212c6a268Permalink

]]>Mapping forbidden emission to structure in self-assembled organic nanoparticles, J. Am. Chem. Soc. 2018, 140, 15827–15841ScienceGuest UserSat, 21 Aug 2021 23:08:00 +0000https://doi.org/10.1021/jacs.8b09149609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:6131597dc35ee77c071f766aPermalink

]]>Exploring electronic structure and order in polymers via single-particle microresonator spectroscopy, Nano Letters 2018, 18, 1600–1607ScienceGuest UserFri, 20 Aug 2021 23:01:00 +0000https://doi.org/10.1021/acs.nanolett.7b04211609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:613157b9ee134a0012619492Permalink

]]>Autonomous OptimizationCase StudyGuest UserFri, 20 Aug 2021 05:50:42 +0000https://www.kebotix.com/latest/closed-loop-discovery-platform-integration-is-needed-for-artificial-intelligence-to-make-an-impact-in-drug-discovery609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:611f429da19b566d75151e0fDownload PDF

]]>High-Throughput Virtual ScreeningCase StudyGuest UserFri, 20 Aug 2021 05:49:59 +0000https://www.kebotix.com/latest/high-throughput-virtual-screening609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:611f426488cd5f7fc1a038dcDownload PDF

]]>Machine learning for quantum dynamics: deep learning of excitation energy transfer properties, Chem. Sci., 2017, 8, 8419–8426ScienceFri, 13 Aug 2021 22:43:00 +0000https://pubs.rsc.org/hy/content/articlehtml/2017/sc/c7sc03542j609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:6131532b7ec0cc4252613039Permalink

]]>High Electrical Conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a Semiconducting Metal–Organic Graphene Analogue, J. Am. Chem. Soc. 2014, 136, 8859–8862ScienceGuest UserThu, 12 Aug 2021 14:58:48 +0000https://doi.org/10.1021/ja502765n609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:611536ed30b23361bf005545Permalink

]]>High-performance solution of hierarchical equations of motions for studying energy-transfer in light-harvesting complexes, J. Chem. Theory Comput. 2011, 7, 2166–2174ScienceThu, 12 Aug 2021 14:53:40 +0000https://pubs.acs.org/doi/abs/10.1021/ct200126d609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:611535d8e1ca6f49bbbb294fPermalink

]]>Structure-Function RelationshipsCase StudyGuest UserWed, 11 Aug 2021 02:25:57 +0000https://www.kebotix.com/latest/structure-function-relationships609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:61133507b9a8e778cd581aaeDownload PDF

]]>Room-Temperature Phosphorescence and Low-Energy Induced Direct Triplet Excitation of Alq3 Engineered Crystals, J. Phys. Chem. Lett. 2020, 11, 9364–9370ScienceTue, 10 Aug 2021 23:43:48 +0000https://www.kebotix.com/latest/room-temperature-phosphorescence-and-low-energy-induced-direct-triplet-excitation-of-alq3-engineered-crystals609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:61130eae68fd8d6659e501c7Autonomous experimentation systems for materials development: A community perspectiveScienceMon, 26 Jul 2021 20:30:00 +0000https://www.sciencedirect.com/science/article/pii/S2590238521003064609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:643efde0c074ed31da026b67Permalink

]]>From absorption spectra to charge transfer in nanoaggregates of oligomers with machine learning, ACS Nano 2020, 14, 6589–6598ScienceGuest UserMon, 27 Apr 2020 20:00:00 +0000https://doi.org/10.1021/acsnano.0c00384609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:611322456fdf39727e8927d0Permalink

]]>Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discoveryScienceFri, 29 Nov 2019 20:00:00 +0000https://www.tandfonline.com/doi/full/10.1080/17460441.2019.1546690609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:61315e42157519128fb11ac8Permalink

]]>Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach, J. Chem. Phys. 2019, 151, 121102ScienceTue, 24 Sep 2019 20:00:00 +0000https://aip.scitation.org/doi/full/10.1063/1.5114789609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:616f2633bef41a002d8bf971Permalink

]]>Autonomous Molecular Design: Then and NowScienceMon, 25 Mar 2019 20:00:00 +0000https://pubs.acs.org/doi/abs/10.1021/acsami.9b01226609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:61315d6d5c8bdd7426a4f00aPermalink

]]>Phoenics: A Bayesian Optimizer for Chemistry, ACS Cent. Sci. 2018, 4, 1134–1145ScienceTue, 14 Aug 2018 20:00:00 +0000https://pubs.acs.org/doi/abs/10.1021/acscentsci.8b00307609a0d4e998fff7e1ca5f943:611308276a7bd2503b97e4c6:61315ca5c8d8905221948c0fPermalink

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