Yvonne Martin
Yvonne Martin
Senior Volwiler Research Felllow, Abbott Laboratories (Retired) Volunteer, Neglected Diseases
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QSAR modeling: where have you been? Where are you going to?
A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ...
Journal of medicinal chemistry 57 (12), 4977-5010, 2014
A general and fast scoring function for protein− ligand interactions: a simplified potential approach
I Muegge, YC Martin
Journal of medicinal chemistry 42 (5), 791-804, 1999
Do structurally similar molecules have similar biological activity?
YC Martin, JL Kofron, LM Traphagen
Journal of medicinal chemistry 45 (19), 4350-4358, 2002
Use of structure− activity data to compare structure-based clustering methods and descriptors for use in compound selection
RD Brown, YC Martin
Journal of Chemical Information and Computer Sciences 36 (3), 572-584, 1996
Quantitative drug design: a critical introduction
YC Martin
CRC Press, 2010
A bioavailability score
YC Martin
Journal of medicinal chemistry 48 (9), 3164-3170, 2005
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
YC Martin, MG Bures, EA Danaher, J DeLazzer, I Lico, PA Pavlik
Journal of computer-aided molecular design 7 (1), 83-102, 1993
The information content of 2D and 3D structural descriptors relevant to ligand-receptor binding
RD Brown, YC Martin
Journal of Chemical Information and Computer Sciences 37 (1), 1-9, 1997
3D database searching in drug design
YC Martin
Journal of Medicinal Chemistry 35 (12), 2145-2154, 1992
Novel 3-pyridyl ethers with subnanomolar affinity for central neuronal nicotinic acetylcholine receptors
MA Abreo, NH Lin, DS Garvey, DE Gunn, AM Hettinger, JT Wasicak, ...
Journal of medicinal chemistry 39 (4), 817-825, 1996
A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry
YC Martin
Journal of medicinal chemistry 24 (3), 229-237, 1981
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional …
JH Van Drie, D Weininger, YC Martin
Journal of Computer-Aided Molecular Design 3 (3), 225-251, 1989
Let’s not forget tautomers
YC Martin
Journal of computer-aided molecular design 23 (10), 693-704, 2009
Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein
I Muegge, YC Martin, PJ Hajduk, SW Fesik
Journal of medicinal chemistry 42 (14), 2498-2503, 1999
Quantitative structure-activity relationships of drugs
J Topliss
Elsevier, 2012
Application of belief theory to similarity data fusion for use in analog searching and lead hopping
SW Muchmore, DA Debe, JT Metz, SP Brown, YC Martin, PJ Hajduk
Journal of chemical information and modeling 48 (5), 941-948, 2008
Glossary of terms used in computational drug design (IUPAC Recommendations 1997)
H Van de Waterbeemd, RE Carter, G Grassy, H Kubinyi, YC Martin, ...
Pure and applied chemistry 69 (5), 1137-1152, 1997
Designing combinatorial library mixtures using a genetic algorithm
RD Brown, YC Martin
Journal of medicinal chemistry 40 (15), 2304-2313, 1997
3D QSAR: current state, scope, and limitations
YC Martin
3D QSAR in drug design, 3-23, 1998
Diverse viewpoints on computational aspects of molecular diversity
YC Martin
Journal of Combinatorial Chemistry 3 (3), 231-250, 2001
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