Yvonne Connolly Martin
#77,922
Most Influential Person Now
American cheminformatics researcher
Yvonne Connolly Martin's AcademicInfluence.com Rankings
Yvonne Connolly Martinchemistry Degrees
Chemistry
#1764
World Rank
#2555
Historical Rank
#616
USA Rank
Cheminformatics
#3
World Rank
#3
Historical Rank
#2
USA Rank
Chemical Engineering
#714
World Rank
#734
Historical Rank
#111
USA Rank
Organic Chemistry
#878
World Rank
#982
Historical Rank
#126
USA Rank
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Chemistry
Yvonne Connolly Martin's Degrees
- Bachelors Chemistry University of California, Berkeley
- PhD Chemical Engineering Stanford University
Why Is Yvonne Connolly Martin Influential?
(Suggest an Edit or Addition)According to Wikipedia, Yvonne Connolly Martin is an American cheminformatics and computer-aided drug design expert who rose to the rank of Senior Volwiler Research Fellow at Abbott Laboratories . Trained in chemistry at Northwestern University, she became a leader in collaborative science aimed at discovering and developing bioactive molecules as therapeutic agents, with her contributions proceeding from application of methods to understand how descriptors of molecular shapes and physicochemical properties relate to their biological activity. She is the author of a seminal volume in cheminformatics, Quantitative Drug Design , and has been the recipient of numerous awards in her field, including being named as a fellow of the American Association for the Advancement of Science and of the International Union of Pure and Applied Chemistry , and receiving the Herman Skolnik Award and the Award for Computers in Chemical and Pharmaceutical Research from the American Chemical Society.
Yvonne Connolly Martin's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- QSAR modeling: where have you been? Where are you going to? (2014) (1232)
- A general and fast scoring function for protein-ligand interactions: a simplified potential approach. (1999) (946)
- Do structurally similar molecules have similar biological activity? (2002) (702)
- Use of Structure-Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection (1996) (560)
- A bioavailability score. (2005) (485)
- 3D QSAR in drug design. (2002) (367)
- A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists (1993) (341)
- The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding (1997) (337)
- Quantitative drug design (1978) (281)
- 3D database searching in drug design. (1992) (219)
- Novel 3-Pyridyl ethers with subnanomolar affinity for central neuronal nicotinic acetylcholine receptors. (1996) (197)
- Let’s not forget tautomers (2009) (185)
- A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry. (1981) (183)
- ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures (1989) (179)
- Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping (2008) (144)
- Quantitative drug design: A critical introduction (1978) (132)
- Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein. (1999) (118)
- A crowdsourcing evaluation of the NIH chemical probes. (2009) (111)
- Designing combinatorial library mixtures using a genetic algorithm. (1997) (100)
- Glossary of terms used in computational drug design (IUPAC Recommendations 1997) (1997) (96)
- 3D QSAR: current state, scope, and limitations (1998) (80)
- Diverse viewpoints on computational aspects of molecular diversity. (2001) (75)
- DIRECT PREDICTION OF LINEAR FREE ENERGY SUBSTITUENT EFFECTS FROM 3D STRUCTURES USING COMPARATIVE MOLECULAR FIELD ANALYSIS. I, ELECTRONIC EFFECTS OF SU BSTITUTED BENZOIC ACIDS (1991) (73)
- Computational methods in molecular diversity and combinatorial chemistry. (1998) (65)
- Mechanistic interpretation of the genotoxicity of nitrofurans (antibacterial agents) using quantitative structure-activity relationships and comparative molecular field analysis. (1993) (65)
- Direct prediction of dissociation constants (pKa's) of clonidine-like imidazolines, 2-substituted imidazoles, and 1-methyl-2-substituted-imidazoles from 3D structures using a comparative molecular field analysis (CoMFA) approach. (1991) (62)
- Influence of hydrophobic character on the relative rate of oxidation of drugs by rat liver microsomes. (1971) (60)
- Designing bioactive molecules : three-dimensional techniques and applications (1998) (60)
- Discriminant analysis of the relationship between physical properties and the inhibition of monoamine oxidase by aminotetralins and aminoindans. (1974) (57)
- Computer-assisted rational drug design. (1991) (39)
- Ligand binding to domain-3 of human serum albumin: a chemometric analysis (2003) (38)
- 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 (1988) (38)
- Relationship between physical properties and antimalarial activities of 1,4-naphthoquinones. (1973) (32)
- PLS analysis of distance matrices to detect nonlinear relationships between biological potency and molecular properties. (1995) (27)
- Theoretical model-based equations for the linear free energy relationships of the biological activity of ionizable substances. 1. Equilibrium-controlled potency. (1976) (26)
- Challenges and prospects for computational aids to molecular diversity (1996) (25)
- Beyond QSAR: Lead Hopping to Different Structures (2009) (25)
- Ligand-protein interactions and molecular similarity (1998) (25)
- Regression analysis of the relationship between physical properties and the in vitro inhibition of monoamine oxidase by propynylamines. (1975) (25)
- Mathematical considerations in series design. (1979) (24)
- New molecular modeling tools using three-dimensional chemical substructures (1994) (23)
- Potential anti-Parkinson drugs designed by receptor mapping. (1973) (22)
- Chemical modification of erythromycin antibiotics. 4. Structure-activity relationships of erythromycin esters. (1972) (22)
- Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. (1987) (20)
- Computer design of potentially bioactive molecules by geometric searching with ALADDIN (1990) (20)
- Chemometric methods in molecular design (1996) (19)
- An evaluation of structural descriptors and clustering methods for use in diversity selection. (1998) (19)
- Experimental and pKa prediction aspects of tautomerism of drug-like molecules. (2018) (19)
- 3D QSAR in drug design. Vol. 2, Ligand-protein interactions andmolecular similarity (1998) (19)
- What Works and What Does Not: Lessons from Experience in a Pharmaceutical Company (2006) (18)
- Differentiation of alpha-adrenergic receptors using pharmacological evaluation and molecular modeling of selective adrenergic agents. (1988) (17)
- Examination of the utility of the Topliss schemes for analog synthesis. (1973) (16)
- Chapter 37 - Glossary of Terms Used in Computational Drug Design (IUPAC Recommendations 1997) (1998) (15)
- Quantitative structure--activity relationships in leucomycin and lincomycin antibiotics. (1971) (14)
- Approaches to Three‐Dimensional Quantitative Structure‐Activity Relationships (2007) (14)
- Chapter 1 – Advances in the Methodology of Quantitative Drug Design (1979) (14)
- Overview of the perspectives devoted to tautomerism in molecular design (2010) (13)
- Validated Descriptors for Diversity Measurements and Optimization (1998) (13)
- DISCRIMINANT ANALYSIS OF THE RELATIONSHIP BETWEEN PHYSICAL PROPERTIES AND THE INHIBITION OF MONOAMINE OXIDASE BY AMINOTETRALINS AND AMINOINDANS (1974) (13)
- Quantitative structure-activity relationships of 5-lipoxygenase inhibitors. Inhibitory potency of pyridazinone analogues. (1994) (13)
- Minimal statistical data for structure-function correlations. (1971) (13)
- Conformationally defined adrenergic agents. 2. Catechol imidazoline derivatives: biological effects at alpha 1 and alpha 2 adrenergic receptors. (1986) (12)
- STRUCTURE-ACTIVITY STUDY OF β-ADRENERGIC AGENTS USING THE SIMCA METHOD OF PATTERN RECOGNITION (1979) (12)
- Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015) (2016) (11)
- Pharmacophore Modeling: 1 – Methods (2007) (11)
- Quantitative Structure-Activity Relationships of 5-Lipoxygenase Inhibitors. Inhibitory Potency of Triazinone Analogues in a Broken Cell (1996) (11)
- New strategies that improve the efficiency of the 3D design of bioactive molecules (1993) (11)
- Use of molecular fields to compare series of potentially bioactive molecules designed by scientists or by computer (1990) (10)
- Tautomerism, Hammett σ, and QSAR (2010) (10)
- Conformational and structural relationships among antipeptic ulcer compounds. (1972) (10)
- Inhibition of 125I-labeled ristocetin binding to Micrococcus luteus cells by the peptides related to bacterial cell wall mucopeptide precursors: quantitative structure-activity relationships. (1989) (9)
- Quantitative Drug Design: A Critical Introduction, Second Edition (1978) (9)
- Electronic factors in drug-receptor interactions. (1970) (9)
- Hansch analysis 50 years on (2012) (9)
- [(Aminomethyl)arloxy]acetic acid esters. A new class of high-ceiling diuretics. 3. Variation in the bridge between the aromatic rings to complete mapping of the receptor. (1985) (8)
- The Discovery of Novel Selective D1 Dopaminergic Agonists: A-68930, A-77636, A-86929, and ABT-413 (2011) (8)
- Distance Comparisons: A New Strategy for Examining Three-Dimensional Structure—Activity Relationships (1995) (8)
- Novel 3-Pyridyl Ethers with Subnanomolar Affinity for Central Neuronal Nicotinic Acetylcholine Receptors (nAChR′s). (1996) (8)
- Organic Synthesis as a Source of New Drugs (1971) (8)
- 4.21 – Pharmacophore Modeling: 2 – Applications (2007) (8)
- Searching Techniques for Databases of Three-Dimensional Chemical Structures (2007) (7)
- The effect of ethchlorvynol on the drug-metabolizing enzymes of rats and dogs. (1967) (7)
- Searching Databases of Three‐Dimensional Structures (2007) (7)
- Molecular diversity: how we measure it? Has it lived up to its promise? (2001) (7)
- 4.06 – Pharmacophore Modeling: 1 – Methods (2007) (6)
- Strategies in drug design based on 3D-structures of ligands. (1989) (6)
- Comparison of calculated versus measured partition coefficients of some phenyl beta-D-glucopyranosides. (1986) (6)
- Accomplishments and challenges in integrating software for computer-aided ligand design in drug discovery (1995) (6)
- QSAR and the pharmacologist (1983) (6)
- SULFUR-CONTAINING DERIVATIVES OF PROTEINS. (1965) (6)
- Examples of the Application of Nonlinear Regression Analysis to Chemical Data (1977) (6)
- Chapter 1 – Utilization of Operational Schemes for Analog Synthesis in Drug Design (1975) (5)
- Virtual Screening of Molecular Properties: A Comparison of Log P Calculators (2007) (5)
- In tribute to Corwin Hansch, father of QSAR (2011) (5)
- Quantitative structure-activity relationships of inhibitors of immune complex-induced inflammation: 1-phenyl-3-aminopyrazoline derivatives. (1990) (5)
- A general approach for atom‐type assignment and the interconversion of molecular structure files (1991) (5)
- Minimum Steric Difference. The MTD Method for QSAR Studies. (1985) (4)
- Searching Techniques for Databases of Three-Dimensional Chemical Structures. (1994) (4)
- Identifying Unique Core Molecules from the Output of a 3-D Database Search (1993) (4)
- RELATIONSHIP BETWEEN PHYSICAL PROPERTIES AND ANTIMALARIAL ACTIVITIES OF 1,4-NAPHTHOQUINONES (1974) (4)
- Systematic drug receptor mapping: A new approach to the analysis of conformational energy calculations of flexible molecules with application to dopaminergic and adrenergic agonists (1987) (4)
- How medicinal chemists learned about log P (2018) (4)
- Inhibitors of immune complex-induced inflammation: 5-substituted 3-[1-(2-benzoxazolyl)hydrazino]propanenitrile derivatives. (1990) (3)
- Application of Theoretical Drug Design Methodology to a Series of Diuretics (1984) (3)
- Conformationally Defined Adrenergic Agents. Part 2. Catechol Imidazoline Derivatives: Biological Effects at α1 and α2 Adrenergic Receptors. (1986) (3)
- Why you should read Dr. Cramer’s perspective (2011) (3)
- Inhibitors of immune complex-induced inflammation: 3-[1-(2-benzoxazolyl)hydrazino]propanenitrile derivatives. (1989) (3)
- Remembrances of Corwin Hansch (2011) (2)
- Ask the experts: focus on computational chemistry. (2011) (2)
- Let′s Not Forget Tautomers (2010) (2)
- Introduction to three-dimensional chemical structure handling (1990) (2)
- The QSAR and Modelling Society (1996) (2)
- ABT — 418, a Novel Nicotinic Agonist (1994) (2)
- 3 - Semisynthetic Antibiotics (1983) (1)
- 3D DESIGN AND POTENCY FORECAST OF BIOLOGICALLY ACTIVE MOLECULES (1993) (1)
- Frozen out: molecular modeling in the age of cryocrystallography (2011) (1)
- Applications of Pharmacophore Mapping (2013) (1)
- Molecular diversity (abstract only): strategies and concerns (2000) (0)
- How computational chemistry develops: a tribute to Peter Goodford (2019) (0)
- Call for papers: Symposium on Tautomers and Biology, American Chemical Society National Meeting, Boston, MA, USA August 2010 (2010) (0)
- Erratum: A crowdsourcing evaluation of the NIH chemical probes (2009) (0)
- Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952–2016 (2018) (0)
- Reviews in Computational Chemistry. Volume 16 Edited by Kenny B. Lipkowitz and Donald B. Boyd (Indiana UniversityPurdue University). Wiley-VCH: New York. 2000. xxviii + 342 pp. $135.00. ISBN 0-471-38667-7. (2001) (0)
- A PRACTITIONER′S PERSPECTIVE OF THE ROLE OF QUANTITATIVE STRUCTURE-ACTIVITY ANALYSIS IN MEDICINAL CHEMISTRY (1981) (0)
- Utility and challenges of 3D database searching in new drug discovery (1994) (0)
- ((AMINOMETHYL)ARYLOXY)ACETIC ACID ESTERS. A NEW CLASS OF HIGH-CEILING DIURETICS. 3. VARIATION IN THE BRIDGE BETWEEN THE AROMATIC RINGS TO COMPLETE MAPPING OF THE RECEPTOR (1985) (0)
- EXAMINATION OF THE UTILITY OF THE TOPLISS SCHEMES FOR ANALOG SYNTHESIS (1973) (0)
- Some considerations in the design of substrate and tissue-specific inhibitors of monoamine oxidase. (1974) (0)
- REGRESSION ANALYSIS OF THE RELATION BETWEEN PHYSICAL PROPERTIES AND THE IN VITRO INHIBITION OF MONOAMINE OXIDASE BY PROPYNYLAMINES (1976) (0)
- Proceedings: Some considerations in the design of substrate and tissue specific inhibitors of MAO. (1974) (0)
- Reflections on Collaborations of a Computational Chemist with Medicinal Chemists and Other Scientists (1995) (0)
- The role of computational chemistry in translating genomic information into bioactive small molecules (abstract only) (2001) (0)
- Chapter 3:Development of QSAR (2011) (0)
- Aladdin: A Real Tool for Stucture-Based Drug Design (1990) (0)
- Computer design of bioactive compounds based on 3-D properties of ligands. (1993) (0)
- Comparative QSAR Edited by James Devillers. Taylor and Francis, Washington, DC. 1998. ix + 371 pp. 16 × 24 cm. ISBN 1-56032-716-2. $135.00. (1999) (0)
- Conformational study of erythromycin analogues. (1989) (0)
- A giant’s shoulders: a Perspective from Professor Norman L. Allinger (2011) (0)
- Proceedings: Extrathermodynamic approach to drug design. (1974) (0)
- Structure-activity and computer modeling studies on potent and selective CCK-A agonist tetrapeptides containing (N-Me)Asp or (N-Me)Asp-(N-Me)Phe (1993) (0)
- Guidebook on Molecular Modeling in Drug Design Edited by N. Claude Cohen (Ciba-Geigy, Ltd.). Academic Press: San Diego. 1996. xix + 361 pp. $59.95. ISBN 0-12-178245-X. (1998) (0)
- Molecular diversity: strategies and concerns (abstract only) (2000) (0)
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