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369 results on '"Koji Tsuda"'

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1. Extensive antibody search with whole spectrum black-box optimization

2. Towards understanding structure–property relations in materials with interpretable deep learning

3. Boltzmann sampling with quantum annealers via fast Stein correction

4. Differentiable optimization layers enhance GNN-based mitosis detection

5. NIMS-OS: an automation software to implement a closed loop between artificial intelligence and robotic experiments in materials science

6. Selection of target-binding proteins from the information of weakly enriched phage display libraries by deep sequencing and machine learning

7. Interpretable Fragment‐Based Molecule Design with Self‐Learning Entropic Population Annealing

8. Effects of data bias on machine-learning–based material discovery using experimental property data

9. Automatic Rietveld refinement by robotic process automation with RIETAN-FP

10. Hybrid algorithm of Bayesian optimization and evolutionary algorithm in crystal structure prediction

11. Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring

12. Low pH structure of heliorhodopsin reveals chloride binding site and intramolecular signaling pathway

13. Molecular generation by Fast Assembly of (Deep)SMILES fragments

14. Determination of quasi-primary odors by endpoint detection

15. Using molecular dynamics simulations to prioritize and understand AI-generated cell penetrating peptides

16. Determinants of bone health in elderly Japanese men: study design and key findings of the Fujiwara-kyo Osteoporosis Risk in Men (FORMEN) cohort study

17. CrySPY: a crystal structure prediction tool accelerated by machine learning

18. Vision-based egg quality prediction in Pacific bluefin tuna (Thunnus orientalis) by deep neural network

19. Machine learning to reveal hidden risk combinations for the trajectory of posttraumatic stress disorder symptoms

20. CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration

22. NMR-TS: de novo molecule identification from NMR spectra

23. Data-driven analysis of electron relaxation times in PbTe-type thermoelectric materials

26. Machine learning-driven optimization in powder manufacturing of Ni-Co based superalloy

27. Continuous black-box optimization with an Ising machine and random subspace coding

28. Computer Vision-Based Approach for Quantifying Occupational Therapists’ Qualitative Evaluations of Postural Control

29. Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex

31. Role of linkage structures in supply chain for managing greenhouse gas emissions

32. Machine learning reveals orbital interaction in materials

33. ChemTS: an efficient python library for de novo molecular generation

34. MDTS: automatic complex materials design using Monte Carlo tree search

35. RNA inverse folding using Monte Carlo tree search

36. An interpretable machine learning model for diagnosis of Alzheimer's disease

37. Designing metamaterials with quantum annealing and factorization machines

38. Exploring Successful Parameter Region for Coarse-Grained Simulation of Biomolecules by Bayesian Optimization and Active Learning

39. Data integration for accelerated materials design via preference learning

40. DenseZDD: A Compact and Fast Index for Families of Sets †

41. Designing Nanostructures for Phonon Transport via Bayesian Optimization

42. Mining significant substructure pairs for interpreting polypharmacology in drug-target network.

49. QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization

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