Anne Mai Wassermann

Publication Activity (10 Years)

Years Active: 2009-2022
Publications (10 Years): 4

Top Topics

Experimental Design

Visual Analysis

Visualization Tools

Biological Pathways

Top Venues

J. Chem. Inf. Model.

IEEE Trans. Vis. Comput. Graph.

J. Cheminformatics

Comput. Graph. Forum

Publications

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
PepSeA: Peptide Sequence Alignment and Visualization Tools to Enable Lead Optimization. J. Chem. Inf. Model. 62 (5) (2022)
Kazi Yasin Helal, Mateusz Maciejewski, Elisabet Gregori-Puigjané, Meir Glick, Anne Mai Wassermann
Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem's Bioassay Repository. J. Chem. Inf. Model. 56 (2) (2016)
Christian Partl, Samuel Gratzl, Marc Streit, Anne Mai Wassermann, Hanspeter Pfister, Dieter Schmalstieg, Alexander Lex
Pathfinder: Visual Analysis of Paths in Graphs. Comput. Graph. Forum 35 (3) (2016)
Mateusz Maciejewski, Anne Mai Wassermann, Meir Glick, Eugen Lounkine
Experimental Design Strategy: Weak Reinforcement Leads to Increased Hit Rates and Enhanced Chemical Diversity. J. Chem. Inf. Model. 55 (5) (2015)
Christian Partl, Alexander Lex, Marc Streit, Hendrik Strobelt, Anne Mai Wassermann, Hanspeter Pfister, Dieter Schmalstieg
ConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug Discovery. IEEE Trans. Vis. Comput. Graph. 20 (12) (2014)
Anne Mai Wassermann
Structure-activity relationship analysis on the basis of matched molecular pairs. J. Cheminformatics 6 (S-1) (2014)
Alexander Lex, Christian Partl, Denis Kalkofen, Marc Streit, Samuel Gratzl, Anne Mai Wassermann, Dieter Schmalstieg, Hanspeter Pfister
Entourage: Visualizing Relationships between Biological Pathways using Contextual Subsets. IEEE Trans. Vis. Comput. Graph. 19 (12) (2013)
Anne Mai Wassermann, Eugen Lounkine, Meir Glick
Bioturbo Similarity Searching: Combining Chemical and Biological Similarity To Discover Structurally Diverse Bioactive Molecules. J. Chem. Inf. Model. 53 (3) (2013)
Disha Gupta-Ostermann, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath
Graph Mining for SAR Transfer Series. J. Chem. Inf. Model. 52 (4) (2012)
Anne Mai Wassermann, Jürgen Bajorath
A computational method to facilitate structure-activity relationship transfer. J. Cheminformatics 4 (S-1) (2012)
Bijun Zhang, Anne Mai Wassermann, Martin Vogt, Jürgen Bajorath
Systematic Assessment of Compound Series with SAR Transfer Potential. J. Chem. Inf. Model. 52 (12) (2012)
Anne Mai Wassermann, Peter Haebel, Nils Weskamp, Jürgen Bajorath
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets. J. Chem. Inf. Model. 52 (7) (2012)
Kathrin Heikamp, Anne Mai Wassermann, Jürgen Bajorath
Potency-directed similarity searching using support vector machines. J. Cheminformatics 4 (S-1) (2012)
Dilyana Dimova, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath
Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions. J. Chem. Inf. Model. 51 (2) (2011)
Peter Ripphausen, Anne Mai Wassermann, Jürgen Bajorath
REPROVIS-DB: A Benchmark System for Ligand-Based Virtual Screening Derived from Reproducible Prospective Applications. J. Chem. Inf. Model. 51 (10) (2011)
Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath
Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis. J. Chem. Inf. Model. 51 (2) (2011)
Anne Mai Wassermann, Jürgen Bajorath
A Data Mining Method To Facilitate SAR Transfer. J. Chem. Inf. Model. 51 (8) (2011)
Anne Mai Wassermann, Jürgen Bajorath
Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets. J. Chem. Inf. Model. 50 (7) (2010)
Martin Vogt, Anne Mai Wassermann, Jürgen Bajorath
Application of Information - Theoretic Concepts in Chemoinformatics. Inf. 1 (2) (2010)
Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath
Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis. J. Chem. Inf. Model. 50 (11) (2010)
Eugen Lounkine, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath
SARANEA: A Freely Available Program To Mine Structure-Activity and Structure-Selectivity Relationship Information in Compound Data Sets. J. Chem. Inf. Model. 50 (1) (2010)
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors. J. Chem. Inf. Model. 49 (3) (2009)
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects. J. Chem. Inf. Model. 49 (10) (2009)