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De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.

, , , , , and . J. Chem. Inf. Model., 59 (3): 1182-1196 (2019)

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Molecular Topology, 15. 3D Distance Matrixes and Related Topological Indices., , and . Journal of Chemical Information and Computer Sciences, 35 (1): 129-135 (1995)From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets., , , , and . J. Comput. Aided Mol. Des., 31 (11): 961-977 (2017)Grid-based evolutionary strategies applied to the conformational sampling problem., , , , and . IEEE Congress on Evolutionary Computation, page 291-296. IEEE, (2007)Do Not Hesitate to Use Tversky - and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors., , and . Journal of Chemical Information and Modeling, 53 (7): 1543-1562 (2013)Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge., , , , and . Journal of Chemical Information and Modeling, 55 (1): 84-94 (2015)SynthI: A New Open-Source Tool for Synthon-Based Library Design., , , , , , , , and . J. Chem. Inf. Model., 62 (9): 2151-2163 (2022)Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case., , , , and . J. Chem. Inf. Model., 63 (13): 4042-4055 (July 2023)Computational chemogenomics: Is it more than inductive transfer?, , , , and . J. Comput. Aided Mol. Des., 28 (6): 597-618 (2014)Hill-Climbing search and diversification within an evolutionary approach to protein structure prediction., , and . BioData Min., (2011)Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches., , , , and . Journal of Chemical Information and Modeling, 52 (9): 2325-2338 (2012)