Yvonne C. Martin

Publication Activity (10 Years)

Years Active: 1988-2019
Publications (10 Years): 3

Top Topics

Computational Chemistry

Machine Learning

Top Venues

J. Comput. Aided Mol. Des.

Publications

Gabriele Cruciani, Yvonne C. Martin, Andy Vinter, Richard Lewis, Federico Gago, Terry R. Stouch
How computational chemistry develops: a tribute to Peter Goodford. J. Comput. Aided Mol. Des. 33 (8) (2019)
Johann Gasteiger, Yvonne C. Martin, Anthony Nicholls, Tudor I. Oprea, Terry R. Stouch
Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016. J. Comput. Aided Mol. Des. 32 (2) (2018)
Yvonne C. Martin
How medicinal chemists learned about log P. J. Comput. Aided Mol. Des. 32 (8) (2018)
Yvonne C. Martin, Steven W. Muchmore
Frozen out: molecular modeling in the age of cryocrystallography. J. Comput. Aided Mol. Des. 26 (1) (2012)
Yvonne C. Martin
Why you should read Dr. Cramer's perspective. J. Comput. Aided Mol. Des. 25 (3) (2011)
Yvonne C. Martin, Terry R. Stouch
In tribute to Corwin Hansch, father of QSAR. J. Comput. Aided Mol. Des. 25 (6) (2011)
Yvonne C. Martin
Remembrances of Corwin Hansch. J. Comput. Aided Mol. Des. 25 (6) (2011)
Terry R. Stouch, Yvonne C. Martin
A giant's shoulders: a Perspective from Professor Norman L. Allinger. J. Comput. Aided Mol. Des. 25 (4) (2011)
Yvonne C. Martin
Tautomerism, Hammett sigma, and QSAR. J. Comput. Aided Mol. Des. 24 (6-7) (2010)
Yvonne C. Martin
Overview of the perspectives devoted to tautomerism in molecular design. J. Comput. Aided Mol. Des. 24 (6-7) (2010)
Yvonne C. Martin, Terry R. Stouch
Call for papers: Symposium on Tautomers and Biology, American Chemical Society National Meeting, Boston, MA, USA August 2010. J. Comput. Aided Mol. Des. 24 (2) (2010)
Yvonne C. Martin
Let's not forget tautomers. J. Comput. Aided Mol. Des. 23 (10) (2009)
Steven W. Muchmore, Derek A. Debe, James T. Metz, Scott P. Brown, Yvonne C. Martin, Philip J. Hajduk
Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping. J. Chem. Inf. Model. 48 (5) (2008)
Philip J. Hajduk, Renaldo Mendoza, Andrew M. Petros, Jeffrey R. Huth, Mark G. Bures, Stephen W. Fesik, Yvonne C. Martin
Ligand binding to domain-3 of human serum albumin: a chemometric analysis. J. Comput. Aided Mol. Des. 17 (2-4) (2003)
Yvonne C. Martin
The role of computational chemistry in translating genomic information into bioactive small molecules (abstract only). RECOMB (2001)
Yvonne C. Martin, Mark G. Bures
Molecular diversity: strategies and concerns (abstract only). RECOMB (2000)
Robert D. Brown, Yvonne C. Martin
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding. J. Chem. Inf. Comput. Sci. 37 (1) (1997)
Robert D. Brown, Yvonne C. Martin
Use of Structure-Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
Mark G. Bures, Elizabeth A. Danaher, Jerry DeLazzer, Yvonne C. Martin
New molecular modeling tools using three-dimensional chemical substructures. J. Chem. Inf. Comput. Sci. 34 (1) (1994)
Yvonne C. Martin, Mark G. Bures, Elizabeth A. Danaher, Jerry DeLazzer, Isabella Lico, Patricia A. Pavlik
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists. J. Comput. Aided Mol. Des. 7 (1) (1993)
John H. Van Drie, David Weininger, Yvonne C. Martin
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures. J. Comput. Aided Mol. Des. 3 (3) (1989)
Yvonne C. Martin, Elizabeth B. Danaher, Catherine S. May, David Weininger
MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties. J. Comput. Aided Mol. Des. 2 (1) (1988)