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Nature Reviews. Drug Discovery|August 2, 2005
Computer-based de novo design of drug-like moleculesGisbert Schneider, Uli FechnerJournal of Medicinal Chemistry|February 17, 2016
De Novo Design at the Edge of ChaosPetra Schneider, Gisbert SchneiderExpert Opinion on Drug Discovery|December 21, 2016
Macromolecular target prediction by self-organizing feature mapsGisbert Schneider, Petra SchneiderProceedings of the National Academy of Sciences of the United States of America|December 14, 2007
Processing and classification of chemical data inspired by insect olfactionMichael Schmuker, Gisbert SchneiderProteomics|June 3, 2004
Advances in the prediction of protein targeting signalsGisbert Schneider, Uli FechnerJournal of Medicinal Chemistry|September 3, 2004
Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screeningSteffen Renner, Gisbert SchneiderMolecular Informatics|May 10, 2023
Compression of molecular fingerprints with autoencoder networksAgnieszka Ilnicka, Gisbert SchneiderMolecular Diversity|November 29, 2005
Multi-space classification for predicting GPCR-ligandsAlireza Givehchi, Gisbert SchneiderNature Machine Intelligence|April 27, 2026
Molecular deep learning at the edge of chemical spaceDerek van Tilborg, Luke Rossen, Francesca GrisoniJournal of Chemical Information and Modeling|December 1, 2022
Exposing the Limitations of Molecular Machine Learning with Activity CliffsDerek van Tilborg, Alisa Alenicheva, Francesca GrisoniPageof 34