default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDGerald M. Maggiora
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
Journal Articles
- 2022
[j28]Gerry Maggiora:
Is the reductionist paradox an Achilles Heel of drug discovery? J. Comput. Aided Mol. Des. 36(5): 329-338 (2022)- [j27]Jürgen Bajorath, Ana L. Chávez-Hernández
, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, Marilia Valli:
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. J. Cheminformatics 14(1): 82 (2022) - 2020
- [j26]Gerald M. Maggiora, José L. Medina-Franco, Javed Iqbal, Martin Vogt, Jürgen Bajorath:
From Qualitative to Quantitative Analysis of Activity and Property Landscapes. J. Chem. Inf. Model. 60(12): 5873-5880 (2020) - 2016
- [j25]Mengjun Wu, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath:
Design of chemical space networks on the basis of Tversky similarity. J. Comput. Aided Mol. Des. 30(1): 1-12 (2016) - [j24]Martin Vogt, Dagmar Stumpfe, Gerald M. Maggiora, Jürgen Bajorath:
Lessons learned from the design of chemical space networks and opportunities for new applications. J. Comput. Aided Mol. Des. 30(3): 191-208 (2016) - 2015
- [j23]Magdalena Zwierzyna, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath:
Design and characterization of chemical space networks for different compound data sets. J. Comput. Aided Mol. Des. 29(2): 113-125 (2015) - [j22]Bijun Zhang, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath:
Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity. J. Comput. Aided Mol. Des. 29(7): 595-608 (2015) - [j21]Bijun Zhang, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath:
Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. J. Comput. Aided Mol. Des. 29(10): 937-950 (2015) - [j20]Bijun Zhang, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath:
Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. J. Comput. Aided Mol. Des. 29(11): 1071-1072 (2015) - 2014
- [j19]Gerald M. Maggiora, Jürgen Bajorath:
Chemical space networks: a powerful new paradigm for the description of chemical space. J. Comput. Aided Mol. Des. 28(8): 795-802 (2014) - 2013
- [j18]Ye Hu, Gerald M. Maggiora, Jürgen Bajorath:
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account. J. Comput. Aided Mol. Des. 27(2): 115-124 (2013) - [j17]Martin Vogt, Preeti Iyer, Gerald M. Maggiora, Jürgen Bajorath:
Conditional Probabilities of Activity Landscape Features for Individual Compounds. J. Chem. Inf. Model. 53(7): 1602-1612 (2013) - 2012
- [j16]Gerald M. Maggiora:
Is there a future for computational chemistry in drug research? J. Comput. Aided Mol. Des. 26(1): 87-90 (2012) - 2011
- [j15]Gerald M. Maggiora:
The reductionist paradox: are the laws of chemistry and physics sufficient for the discovery of new drugs? J. Comput. Aided Mol. Des. 25(8): 699-708 (2011) - [j14]Austin B. Yongye, Kendall G. Byler, Radleigh Santos, Karina Martínez-Mayorga, Gerald M. Maggiora, José L. Medina-Franco:
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations. J. Chem. Inf. Model. 51(6): 1259-1270 (2011) - 2007
- [j13]Akshay S. Raghavendra, Gerald M. Maggiora:
Molecular Basis SetsA General Similarity-Based Approach for Representing Chemical Spaces. J. Chem. Inf. Model. 47(4): 1328-1340 (2007) - 2006
- [j12]Gerald M. Maggiora:
On Outliers and Activity Cliffs-Why QSAR Often Disappoints. J. Chem. Inf. Model. 46(4): 1535 (2006) - 2004
- [j11]Suzanne K. Schreyer, Christian N. Parker, Gerald M. Maggiora:
Data Shaving: A Focused Screening Approach. J. Chem. Inf. Model. 44(2): 470-479 (2004) - 2000
- [j10]Jordi Mestres, Douglas C. Rohrer, Gerald M. Maggiora:
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching. J. Comput. Aided Mol. Des. 14(1): 39-51 (2000) - 1999
- [j9]Jordi Mestres, Douglas C. Rohrer, Gerald M. Maggiora:
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. J. Comput. Aided Mol. Des. 13(1): 79-93 (1999) - 1997
- [j8]Jordi Mestres, Douglas C. Rohrer, Gerald M. Maggiora:
MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches. J. Comput. Chem. 18(7): 934-954 (1997) - 1996
- [j7]Cheng Cheng, Gerald M. Maggiora, Michael S. Lajiness, Mark A. Johnson:
Four Association Coefficients for Relating Molecular Similarity Measures. J. Chem. Inf. Comput. Sci. 36(4): 909-915 (1996) - 1995
- [j6]P. Duane Walker, Paul G. Mezey, Gerald M. Maggiora, Mark A. Johnson, James D. Petke:
Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine. J. Comput. Chem. 16(12): 1474-1482 (1995) - [j5]P. Duane Walker, Gerald M. Maggiora, Mark A. Johnson, James D. Petke, Paul G. Mezey:
Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems. J. Chem. Inf. Comput. Sci. 35(3): 568-578 (1995) - 1994
- [j4]L. A. Parodi, C. A. Granatir, Gerald M. Maggiora:
A consensus procedure for predicting the location of alpha-helical transmembrane segments in proteins. Comput. Appl. Biosci. 10(5): 527-535 (1994) - 1992
- [j3]Gerald M. Maggiora, David W. Elrod, Robert G. Trenary:
Computational neural networks as model-free mapping devices. J. Chem. Inf. Comput. Sci. 32(6): 732-741 (1992) - 1990
- [j2]David W. Elrod, Gerald M. Maggiora, Robert G. Trenary:
Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactions. J. Chem. Inf. Comput. Sci. 30(4): 477-484 (1990) - 1988
- [j1]George L. Wilcox, Florante A. Quiocho, Cyrus Levinthal, Stephen C. Harvey, Gerald M. Maggiora, James Andrew McCammon:
Symposium overview Minnesota Conference on Supercomputing in Biology: Proteins, Nucleic Acids, and Water. J. Comput. Aided Mol. Des. 1(4): 271-281 (1988)
Conference and Workshop Papers
- 1999
- [c2]James R. Blinn, Douglas C. Rohrer, Gerald M. Maggiora:
Field-Based Similarity Forcing in Energy Minimization and Molecular Matching. Pacific Symposium on Biocomputing 1999: 415-425 - 1989
- [c1]David W. Elrod, Gerald M. Maggiora, Robert G. Trenary:
Predicting Chemical Reactions with a Neural Network. Great Lakes Computer Science Conference 1989: 392-398
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-04-24 22:56 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
