Modern Machine Learning for Tackling Inverse Problems in ChemistryBhuvanesh Sridharan & Manan Goel & U. Deva PriyakumarPDF4.4 MB
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural NetworksYashaswi Pathak, Sarvesh Mehta & U. Deva PriyakumarPDF4.1 MBES
Computational Modeling of the Catalytic Mechanism of Hydroxymethylbilane SynthaseNavneet Bung & Arijit Roy & U. Deva Priyakumar & Gopalakrishnan BulusuPDF3.7 MB
Transition Between - and -stereoisomers Without Bond BreakingShampa Raghunathan & Komal Yadav & V. C. Rojisha & Tanashree Jaganade & V. Prathyusha & Swetha Bikkina & Upakarasamy Lourderaj & U. Deva PriyakumarPDF4.7 MB
Deep Learning Enabled Inorganic Material GeneratorYashaswi Pathak & Karandeep Singh Juneja & Girish Varma & Masahiro Ehara & U. Deva PriyakumarPDF4.2 MB
Synthesis and Reactivity of NHC-coordinated Phosphinidene OxideDebabrata Dhara & Pradeep Kumar Pal & Ramapada Dolai & Nicolas Chrysochos & Hemant Rawat & Benedict J. Elvers & Ivo Krummenacher & Holger Braunschweig & Carola Schulzke & Vadapalli Chandrasekhar & U. Deva Priyakumar & Anukul JanaPDF2.4 MB
Kinetic vs Thermodynamic Controlled Promiscuous Biocatalytic Asymmetric Henry Reaction in Diastereocomplementary Synthesis of β-NitroalcoholsAyon Chatterjee, Pradeep Kumar Pal, U. Deva Priyakumar & Santosh Kumar PadhiPDF8.9 MBEN