Anne Mai Wassermann

23 papers Journal 23
YearRankTypeTitle / Venue / Authors
2022 J jnl
PepSeA: Peptide Sequence Alignment and Visualization Tools to Enable Lead Optimization.
J. Chem. Inf. Model.
Javier L. Baylon, Oleg Ursu, Anja Muzdalo, Anne Mai Wassermann, Gregory L. Adams, Martin Spale, Petr Mejzlík, Anna Gromek, Viktor Pisarenko, Dzianis Hancharyk, Esteban Jenkins, David Bednar, Charlie Chang, Kamila Clarova, Meir Glick, Danny A. Bitton
2016 J jnl
Pathfinder: Visual Analysis of Paths in Graphs.
Comput. Graph. Forum
Christian Partl, Samuel Gratzl, Marc Streit, Anne Mai Wassermann, Hanspeter Pfister, Dieter Schmalstieg, Alexander Lex
2016 J jnl
Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem's Bioassay Repository.
J. Chem. Inf. Model.
Kazi Yasin Helal, Mateusz Maciejewski, Elisabet Gregori-Puigjané, Meir Glick, Anne Mai Wassermann
2015 J jnl
Experimental Design Strategy: Weak Reinforcement Leads to Increased Hit Rates and Enhanced Chemical Diversity.
J. Chem. Inf. Model.
Mateusz Maciejewski, Anne Mai Wassermann, Meir Glick, Eugen Lounkine
2014 J jnl
ConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug Discovery.
IEEE Trans. Vis. Comput. Graph.
Christian Partl, Alexander Lex, Marc Streit, Hendrik Strobelt, Anne Mai Wassermann, Hanspeter Pfister, Dieter Schmalstieg
2014 J jnl
Structure-activity relationship analysis on the basis of matched molecular pairs.
J. Cheminformatics
Anne Mai Wassermann
2013 J jnl
Bioturbo Similarity Searching: Combining Chemical and Biological Similarity To Discover Structurally Diverse Bioactive Molecules.
J. Chem. Inf. Model.
Anne Mai Wassermann, Eugen Lounkine, Meir Glick
2013 J jnl
Entourage: Visualizing Relationships between Biological Pathways using Contextual Subsets.
IEEE Trans. Vis. Comput. Graph.
Alexander Lex, Christian Partl, Denis Kalkofen, Marc Streit, Samuel Gratzl, Anne Mai Wassermann, Dieter Schmalstieg, Hanspeter Pfister
2012 J jnl
A computational method to facilitate structure-activity relationship transfer.
J. Cheminformatics
Anne Mai Wassermann, Jürgen Bajorath
2012 J jnl
Graph Mining for SAR Transfer Series.
J. Chem. Inf. Model.
Disha Gupta-Ostermann, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath
2012 J jnl
Potency-directed similarity searching using support vector machines.
J. Cheminformatics
Kathrin Heikamp, Anne Mai Wassermann, Jürgen Bajorath
2012 J jnl
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets.
J. Chem. Inf. Model.
Anne Mai Wassermann, Peter Haebel, Nils Weskamp, Jürgen Bajorath
2012 J jnl
Systematic Assessment of Compound Series with SAR Transfer Potential.
J. Chem. Inf. Model.
Bijun Zhang, Anne Mai Wassermann, Martin Vogt, Jürgen Bajorath
2011 J jnl
A Data Mining Method To Facilitate SAR Transfer.
J. Chem. Inf. Model.
Anne Mai Wassermann, Jürgen Bajorath
2011 J jnl
Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis.
J. Chem. Inf. Model.
Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath
2011 J jnl
Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions.
J. Chem. Inf. Model.
Dilyana Dimova, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath
2011 J jnl
REPROVIS-DB: A Benchmark System for Ligand-Based Virtual Screening Derived from Reproducible Prospective Applications.
J. Chem. Inf. Model.
Peter Ripphausen, Anne Mai Wassermann, Jürgen Bajorath
2010 J jnl
Application of Information - Theoretic Concepts in Chemoinformatics.
Inf.
Martin Vogt, Anne Mai Wassermann, Jürgen Bajorath
2010 J jnl
Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets.
J. Chem. Inf. Model.
Anne Mai Wassermann, Jürgen Bajorath
2010 J jnl
Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis.
J. Chem. Inf. Model.
Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath
2010 J jnl
SARANEA: A Freely Available Program To Mine Structure-Activity and Structure-Selectivity Relationship Information in Compound Data Sets.
J. Chem. Inf. Model.
Eugen Lounkine, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath
2009 J jnl
Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects.
J. Chem. Inf. Model.
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
2009 J jnl
Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors.
J. Chem. Inf. Model.
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath