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TITLE: Artificial Intelligence-Driven Modeling for Hydrogel Three-Dimensional Printing: Computational and Experimental Cases of Study  Full Text
AUTHORS: Bediaga Baneres, Harbil; Moreno Benitez, Isabel; Arrasate, Sonia; Perez alvarez, Leyre; Halder, Amit K. ; Cordeiro, M. Natalia D. S. ; Gonzalez Diaz, Humberto; Vilas Vilela, Jose Luis;
PUBLISHED: 2025, SOURCE: POLYMERS, VOLUME: 17, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 11
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2
TITLE: Machine learning-driven prediction of deep eutectic solvents’ heat capacity for sustainable process design
AUTHORS: Amit Kumar Halder ; Reza Haghbakhsh; Elisabete C Ferreira ; Ana Rita Duarte; Natália D S Cordeiro ;
PUBLISHED: 2025, SOURCE: Journal of Molecular Liquids, VOLUME: 418
INDEXED IN: Scopus CrossRef: 10
IN MY: ORCID
3
TITLE: Machine Learning-Guided Prediction of Activation Energies for Catalyst Design in the Water Gas Shift Reaction
AUTHORS: Fajin, Jose L. C. ; Halder, Amit Kumar ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2025, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 129, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 5
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TITLE: Predicting the Aquatic Toxicity of Pharmaceutical and Personal Care Products: A Multitasking Modeling Approach
AUTHORS: Halder, Amit Kumar ; Pradhan, Tanushree; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2025, SOURCE: APPLIED SCIENCES-BASEL, VOLUME: 15, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 2
IN MY: ORCID
5
TITLE: Structural insights into the interactions of repositioning and known drugs for Alzheimer's disease with hen egg white lysozyme by MM-GBSA
AUTHORS: Halder, Amit Kumar ; Mishra, Puja; Basak, Souvik; Roy, Debjani; Das, Anurag; Karmakar, Sucheta; Mondal, Ritam; Banerjee, Shrestha; De, Prakarsha; Chatterjee, Ankit; Mallick, Susmita; Hazra, Abhijit;
PUBLISHED: 2025, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 43, ISSUE: 9
INDEXED IN: Scopus WOS
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TITLE: AI Driven Modelling for Hydrogel 3D-Printing: Computational and Experimental Cases of Study
AUTHORS: Harbil Bediaga-Bañeres; Isabel Moreno-Benítez; Sonia Arrasate; Leyre Pérez-Álvarez; Amit K Halder ; Natalia N D S Cordeiro; Humberto González-Díaz; José Luis Vilas-Vilela;
PUBLISHED: 2024
INDEXED IN: CrossRef
IN MY: ORCID
7
TITLE: Development of 2D and 3D QSAR models of pyrazole derivatives as esterase inhibitors  Full Text
AUTHORS: Mishra, Puja; Nandi, Sumit; Chatterjee, Ankit; Nayek, Tridib; Basak, Souvik; Halder, Amit Kumar ; Mukherjee, Arup;
PUBLISHED: 2024, SOURCE: JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, VOLUME: 89, ISSUE: 7-8
INDEXED IN: Scopus WOS CrossRef
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TITLE: Finding structural requirements of structurally diverse α-glucosidase and α-amylase inhibitors through validated and predictive 2D-QSAR and 3D-QSAR analyses
AUTHORS: Soumya Mitra; Subhadas Chatterjee; Shobhan Bose; Parthasarathi Panda; Souvik Basak; Nilanjan Ghosh; Subhash C Mandal; Saroj Singhmura; Amit Kumar Halder ;
PUBLISHED: 2024, SOURCE: Journal of Molecular Graphics and Modelling, VOLUME: 126
INDEXED IN: CrossRef: 2
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TITLE: Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction  Full Text
AUTHORS: Mondal, Ismail; Halder, Amit Kumar ; Pattanayak, Nirupam; Mandal, Sudip Kumar; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2024, SOURCE: PHARMACEUTICALS, VOLUME: 17, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 2 Unpaywall
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TITLE: Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach
AUTHORS: Soumya Mitra; Amit Kumar Halder ; Arup Koley; Nilanjan Ghosh; Parthasarathi Panda; Subhash Mandal; Maria Natalia Cordeiro;
PUBLISHED: 2024, SOURCE: Computers in Biology and Medicine, VOLUME: 180
INDEXED IN: Scopus CrossRef: 4
IN MY: ORCID
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