Anne Mai Wassermann

According to our database, Anne Mai Wassermann authored at least 23 papers between 2009 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

PepSeA: Peptide Sequence Alignment and Visualization Tools to Enable Lead Optimization.

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

J. Chem. Inf. Model., 2022

2016

Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem's Bioassay Repository.

Kazi Yasin Helal, Mateusz Maciejewski, Elisabet Gregori-Puigjané, Meir Glick, Anne Mai Wassermann

J. Chem. Inf. Model., 2016

Pathfinder: Visual Analysis of Paths in Graphs.

Christian Partl, Samuel Gratzl, Marc Streit, Anne Mai Wassermann, Hanspeter Pfister, Dieter Schmalstieg, Alexander Lex

Comput. Graph. Forum, 2016

2015

Experimental Design Strategy: Weak Reinforcement Leads to Increased Hit Rates and Enhanced Chemical Diversity.

Mateusz Maciejewski, Anne Mai Wassermann, Meir Glick, Eugen Lounkine

J. Chem. Inf. Model., 2015

2014

ConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug Discovery.

Christian Partl, Alexander Lex, Marc Streit, Hendrik Strobelt, Anne Mai Wassermann, Hanspeter Pfister, Dieter Schmalstieg

IEEE Trans. Vis. Comput. Graph., 2014

Structure-activity relationship analysis on the basis of matched molecular pairs.

Anne Mai Wassermann

J. Cheminformatics, 2014

2013

Entourage: Visualizing Relationships between Biological Pathways using Contextual Subsets.

Alexander Lex, Christian Partl, Denis Kalkofen, Marc Streit, Samuel Gratzl, Anne Mai Wassermann, Dieter Schmalstieg, Hanspeter Pfister

IEEE Trans. Vis. Comput. Graph., 2013

Bioturbo Similarity Searching: Combining Chemical and Biological Similarity To Discover Structurally Diverse Bioactive Molecules.

Anne Mai Wassermann, Eugen Lounkine, Meir Glick

J. Chem. Inf. Model., 2013

2012

Systematic Assessment of Compound Series with SAR Transfer Potential.

Bijun Zhang, Anne Mai Wassermann, Martin Vogt, Jürgen Bajorath

J. Chem. Inf. Model., 2012

SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets.

Anne Mai Wassermann, Peter Haebel, Nils Weskamp, Jürgen Bajorath

J. Chem. Inf. Model., 2012

Graph Mining for SAR Transfer Series.

Disha Gupta-Ostermann, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath

J. Chem. Inf. Model., 2012

A computational method to facilitate structure-activity relationship transfer.

Anne Mai Wassermann, Jürgen Bajorath

J. Cheminformatics, 2012

Potency-directed similarity searching using support vector machines.

Kathrin Heikamp, Anne Mai Wassermann, Jürgen Bajorath

J. Cheminformatics, 2012

2011

Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis.

Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath

J. Chem. Inf. Model., 2011

A Data Mining Method To Facilitate SAR Transfer.

Anne Mai Wassermann, Jürgen Bajorath

J. Chem. Inf. Model., 2011

REPROVIS-DB: A Benchmark System for Ligand-Based Virtual Screening Derived from Reproducible Prospective Applications.

Peter Ripphausen, Anne Mai Wassermann, Jürgen Bajorath

J. Chem. Inf. Model., 2011

Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions.

Dilyana Dimova, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath

J. Chem. Inf. Model., 2011

2010

Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis.

Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath

J. Chem. Inf. Model., 2010

Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets.

Anne Mai Wassermann, Jürgen Bajorath

J. Chem. Inf. Model., 2010

SARANEA: A Freely Available Program To Mine Structure-Activity and Structure-Selectivity Relationship Information in Compound Data Sets.

Eugen Lounkine, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath

J. Chem. Inf. Model., 2010

Application of Information - Theoretic Concepts in Chemoinformatics.

Martin Vogt, Anne Mai Wassermann, Jürgen Bajorath

Inf., 2010

2009

Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects.

Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath

J. Chem. Inf. Model., 2009

Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors.

Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath

J. Chem. Inf. Model., 2009