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6 results in Keywords: Artificial Intelligence

Chemical Engineering and Industrial Chemistry

Machine learning based knowledge discovery and modeling of silicon content of molten iron from a blast furnace

Sri Harsha Nistala, Jayasree Biswas, Rajan Kumar, Rohan Pandya, Pradeep Rathore, Mahesh Mynam, Venkataramana Runkana, Sristy Raj, Adity Ganguly

Version 1 posted 17 January 2024

191

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1

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Theoretical and Computational Chemistry

SYNERGY OF ADVANCED MACHINE LEARNING AND DEEP NEURAL NETWORKS WITH CONSENSUS MOLECULAR DOCKING FOR ENHANCED POTENCY PREDICTION OF ALK INHIBITORS

The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To, Thanh-An Pham, Gia-Bao Truong, Hoang-Son Le, Xuan-Truc Tran, Tuyen Ngoc Truong

Version 1 posted 05 September 2024

138

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Biological and Medicinal Chemistry

Nanobody Engineering: Computational Modelling and Design for Biomedical and Therapeutic Applications

Nehad El Salamouni, Jordan Cater, Lisanne Spenkelink, Haibo Yu

Version 2 posted 27 May 2024

606

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Biological and Medicinal Chemistry

Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches

Samuel K. R. Homberg, Malte L. Modlich, Janosch Menke, Garrett M. Morris, Benjamin Risse, Oliver Koch

Version 2 posted 09 July 2024

705

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Theoretical and Computational Chemistry

Latent Spaces for Antimicrobial Peptide Design

Samuel Renaud, Rachael Mansbach

Version 2 posted 01 February 2023

493

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Theoretical and Computational Chemistry

Expanding the Current Boundaries of Nature-based Modeling and Computing: Chem-Inspiration for Meta-Heuristics

Yovani Marrero-Ponce, Yasser B. Ruiz-Blanco, Yuviny Echevarría, Felix Martinez-Rios, Rafael Bello, Carlos Morrel, Ricardo Vivas-Reyes

Version 1 posted 10 November 2021

272

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