Anne Mai Wassermann: search on Z-Library

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1

Iterative Shannon Entropy – a Methodology to Quantify the Information Content of Value Range Dependent Data Distributions. Application to Descriptor and Compound Selectivity Profiling

Anne Mai Wassermann, Martin Vogt, Jürgen Bajorath

Journal:

Molecular Informatics

Year:

2010

Language:

english

File:

PDF, 558 KB

english, 2010

2

Dark chemical matter as a promising starting point for drug lead discovery

Wassermann, Anne Mai, Lounkine, Eugen, Hoepfner, Dominic, Le Goff, Gaelle, King, Frederick J, Studer, Christian, Peltier, John M, Grippo, Melissa L, Prindle, Vivian, Tao, Jianshi, Schuffenhauer, Ansga

Journal:

Nature Chemical Biology

Year:

2015

Language:

english

File:

PDF, 1.95 MB

english, 2015

3

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 1.53 MB

english, 2016

4

CHEMGENIE: integration of chemogenomics data for applications in chemical biology

Kutchukian, Peter S., Chang, Charlie, Fox, Sean J., Cook, Erica, Barnard, Richard, Tellers, David, Wang, Huijun, Pertusi, Dante, Glick, Meir, Sheridan, Robert P., Wallace, Iain, Wassermann, Anne Mai

Journal:

Drug Discovery Today

Year:

2017

Language:

english

File:

PDF, 2.09 MB

english, 2017

5

Computational Analysis of Multi-target Structure–Activity Relationships to Derive Preference Orders for Chemical Modifications toward Target Selectivity

Anne Mai Wassermann, Lisa Peltason, Jürgen Bajorath

Journal:

Year:

2010

Language:

english

File:

PDF, 1.05 MB

english, 2010

6

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 2.58 MB

english, 2012

7

A computational method to facilitate structure-activity relationship transfer

Anne Mai Wassermann, Jürgen Bajorath

Journal:

Journal of Cheminformatics

Year:

2012

Language:

english

File:

PDF, 66 KB

english, 2012

8

Activity Landscape Representations for Structure−Activity Relationship Analysis

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

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 5.81 MB

english, 2010

9

Systematic Analysis of Public Domain Compound Potency Data Identifies Selective Molecular Scaffolds across Druggable Target Families

Hu, Ye, Wassermann, Anne Mai, Lounkine, Eugen, Bajorath, Jürgen

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 3.67 MB

english, 2010

10

Identification of target family directed bioisosteric replacements

Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Year:

2011

Language:

english

File:

PDF, 394 KB

english, 2011

11

Systematic Assessment of Compound Series with SAR Transfer Potential

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

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.25 MB

english, 2012

12

Advances in Computational Medicinal Chemistry: Matched Molecular Pair Analysis

Wassermann, Anne Mai, Dimova, Dilyana, Iyer, Preeti, Bajorath, Jürgen

Journal:

Drug Development Research

Year:

2012

Language:

english

File:

PDF, 357 KB

english, 2012

13

Biodiversity of small molecules – a new perspective in screening set selection

Petrone, Paula M., Wassermann, Anne Mai, Lounkine, Eugen, Kutchukian, Peter, Simms, Benjamin, Jenkins, Jeremy, Selzer, Paul, Glick, Meir

Journal:

Drug Discovery Today

Year:

2013

Language:

english

File:

PDF, 554 KB

english, 2013

14

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

Wassermann, Anne Mai, Geppert, Hanna, Bajorath, Jürgen

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 2.16 MB

english, 2009

15

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

Ripphausen, Peter, Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 1.00 MB

english, 2011

16

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 3.38 MB

english, 2010

17

Efficient Search of Chemical Space: Navigating from Fragments to Structurally Diverse Chemotypes

Wassermann, Anne Mai, Kutchukian, Peter S., Lounkine, Eugen, Luethi, Tiffany, Hamon, Jacques, Bocker, Michael T., Malik, Hasnain A., Cowan-Jacob, Sandra W., Glick, Meir

Journal:

Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 2.38 MB

english, 2013

18

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 562 KB

english, 2010

19

A Screening Pattern Recognition Method Finds New and Divergent Targets for Drugs and Natural Products

Wassermann, Anne Mai, Lounkine, Eugen, Urban, Laszlo, Whitebread, Steven, Chen, Shanni, Hughes, Kevin, Guo, Hongqiu, Kutlina, Elena, Fekete, Alexander, Klumpp, Martin, Glick, Meir

Journal:

ACS Chemical Biology

Year:

2014

Language:

english

File:

PDF, 1.80 MB

english, 2014

20

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2013

Language:

english

File:

PDF, 1.87 MB

english, 2013

21

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

Wassermann, Anne Mai, Geppert, Hanna, Bajorath, Jürgen

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 3.19 MB

english, 2009

22

Directed R-Group Combination Graph: A Methodology To Uncover Structure–Activity Relationship Patterns in a Series of Analogues

Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 4.76 MB

english, 2012

23

Graph Mining for SAR Transfer Series

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

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 2.73 MB

english, 2012

24

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

Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 3.48 MB

english, 2010

25

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2011

File:

PDF, 1018 KB

2011

26

A Data Mining Method To Facilitate SAR Transfer

Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 2.53 MB

english, 2011

27

Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions

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

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 3.90 MB

english, 2011

28

Large-scale exploration of bioisosteric replacements on the basis of matched molecular pairs

Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Future Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 924 KB

english, 2011

29

The opportunities of mining historical and collective data in drug discovery

Wassermann, Anne Mai, Lounkine, Eugen, Davies, John W., Glick, Meir, Camargo, L. Miguel

Journal:

Drug Discovery Today

Year:

2015

Language:

english

File:

PDF, 1.40 MB

english, 2015

30

Entourage: Visualizing Relationships between Biological Pathways using Contextual Subsets

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

Journal:

IEEE Transactions on Visualization and Computer Graphics

Year:

2013

Language:

english

File:

PDF, 2.94 MB

english, 2013

31

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

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

Journal:

IEEE Transactions on Visualization and Computer Graphics

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

32

BindingDB and ChEMBL: online compound databases for drug discovery

Wassermann, Anne Mai, Bajorath, Jürgen

Journal:

Expert Opinion on Drug Discovery

Year:

2011

Language:

english

File:

PDF, 330 KB

english, 2011

33

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

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

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

34

Composition and applications of focus libraries to phenotypic assays

Wassermann, Anne Mai, Camargo, Luiz M., Auld, Douglas S.

Journal:

Frontiers in Pharmacology

Year:

2014

Language:

english

File:

PDF, 935 KB

english, 2014

35

Amine promiscuity and toxicology analysis

Lee, Esther C.Y., Steeno, Gregory, Mai Wassermann, Anne, Zhang, Liying, Shah, Falgun, Price, David A.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 720 KB

english, 2016

36

Deorphanization strategies for dark chemical matter

Wassermann, Anne Mai, Tudor, Matthew, Glick, Meir

Journal:

Drug Discovery Today: Technologies

Year:

2017

Language:

english

File:

PDF, 794 KB

english, 2017

37

The Identification of Pivotal Transcriptional Factors Mediating Cell Responses to Drugs With Drug-Induced Liver Injury Liabilities

Shah, Falgun, Medvedev, Alex, Wassermann, Anne Mai, Brodney, Marian, Zhang, Liying, Makarov, Sergei, Stanton, Robert V

Journal:

Toxicological Sciences

Year:

2018

Language:

english

File:

PDF, 1.50 MB

english, 2018

38

Plate-Based Phenotypic Screening for Pain Using Human iPSC-Derived Sensory Neurons

Stacey, Peter, Wassermann, Anne Mai, Kammonen, Laura, Impey, Emma, Wilbrey, Anna, Cawkill, Darren

Journal:

Year:

2018

Language:

english

File:

PDF, 1.44 MB

english, 2018

39

Application of Information—Theoretic Concepts in Chemoinformatics

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

Journal:

Year:

2010

Language:

english

File:

PDF, 335 KB

english, 2010

40

Reducing Limitation in Probe Design: The Development of a Diazirine-Compatible Suzuki–Miyaura Cross Coupling Reaction

Ichiishi, Naoko, Moore, Keith P., Wassermann, Anne Mai, Wolkenberg, Scott E., Krska, Shane W.

Journal:

ACS Medicinal Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 1.65 MB

english, 2018

41

Diversity & tractability revisited in collaborative small molecule phenotypic screening library design

Lahue, Brian R., Glick, Meir, Tudor, Matthew, Arne Johnson, Scott, Diratsouian, Janet, Jo Wildey, Mary, Burton, Marybeth, Mazzola, Robert, Mai Wassermann, Anne

Journal:

Bioorganic & Medicinal Chemistry

Year:

2019

Language:

english

File:

PDF, 1.03 MB

english, 2019