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Can we estimate the accuracy of ADME–Tox predictions?

Drug discovery today, 2006-08, Vol.11 (15), p.700-707

2006

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Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations

Journal of Chemical Information and Computer Sciences, 2004-05, Vol.44 (3), p.871-881

2004

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Bacterial translation inhibitors, 1-acylindazol-3-ols as anthranilic acid mimics

Bioorganic & medicinal chemistry letters, 2008-12, Vol.18 (23), p.6293-6297

2008

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Preparation of novel anthranilic acids as antibacterial agents. Extensive evaluation of alternative amide bioisosteres connecting the A- and the B-rings

Bioorganic & medicinal chemistry letters, 2007-05, Vol.17 (10), p.2823-2827

2007

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Preparation of novel antibacterial agents. Replacement of the central aromatic ring with heterocycles

Bioorganic & medicinal chemistry letters, 2007-04, Vol.17 (8), p.2347-2350

2007

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MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches

Journal of computational chemistry, 1997-05, Vol.18 (7), p.934-954

1997

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7-Oxo-4,7-dihydrothieno[3,2- b]pyridine-6-carboxamides: Synthesis and biological activity of a new class of highly potent inhibitors of human cytomegalovirus DNA polymerase

Bioorganic & medicinal chemistry letters, 2007-07, Vol.17 (14), p.3840-3844

2007

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Identification of novel potent hydroxamic acid inhibitors of peptidyl deformylase and the importance of the hydroxamic acid functionality on inhibition

Bioorganic & medicinal chemistry letters, 2001-06, Vol.11 (11), p.1355-1358

2001

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Hormone antagonists

1, 2019

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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

Journal of computer-aided molecular design, 2000-01, Vol.14 (1), p.39-51

2000

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A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors

Journal of computer-aided molecular design, 1999-01, Vol.13 (1), p.79-93

1999

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Principles of recepterology

Agarwal, M. K

1, 2019

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Conformation of progesterone side chain: conflict between x-ray data and force-field calculations

Journal of the American Chemical Society, 1981-11, Vol.103 (22), p.6705-6712

1981

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Structure-based design of combinatorial libraries

EXS (Basel), 2003 (93), p.203

2003

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Steroid conformations in solid and solution: stereoselectivity of Grignard addition to 20-oxo steroids

Journal of organic chemistry, 1978-01, Vol.43 (2), p.276-280

1978

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Cardiac glycosides. 4. A structural and biological analysis of .beta.-D-digitoxosides, .beta.-AYD-digitoxose acetonides and their genins

Journal of the American Chemical Society, 1984-12, Vol.106 (26), p.8269-8276

1984

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Digitalis Genin Activity: Side-Group Carbonyl Oxygen Position Is a Major Determinant

Science (American Association for the Advancement of Science), 1979-08, Vol.205 (4409), p.917-919

1979

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Synthesis and antibacterial activity of [6,5,5] and [6,6,5] tricyclic fused oxazolidinones

Bioorganic & medicinal chemistry letters, 1998-05, Vol.8 (10), p.1231-1236

1998

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Comparing protein structures: A Gaussian-based approach to the three-dimensional structural similarity of proteins

Journal of molecular graphics & modelling, 2000, Vol.18 (4-5), p.553-553

2000

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A molecular field-based similarity approach to pharmacophoric pattern recognition

Journal of molecular graphics & modelling, 1997-04, Vol.15 (2), p.114-121

1997

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STEROID AGONISTS AND ANTAGONISTS: MOLECULAR CONFORMATION, RECEPTOR BINDING AND ACTIVITY

Hormone antagonists, 2019, p.3-24

Originally published 1982, 2019

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STEROID-PROTEIN INTERACTIONS DETERMINED AND INFERRED FROM X-RAY CRYSTALLOGRAPHIC INVESTIGATIONS

Principles of recepterology, 2019, p.69-104

Originally published 1983, 2019

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Crystal and molecular structure of two C-phenyl pentitol derivatives

Canadian journal of chemistry, 1978-12, Vol.56 (23), p.2915-2921

1978

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Crystal structure, low-temperature crystal spectra and IR spectra of tricesium dichlorotetraaquavanadium(III) chloride and some analogous molecules

Inorganic chemistry, 1981-05, Vol.20 (5), p.1571-1576

1981

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Can we estimate the accuracy of ADME–Tox predictions?

Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations

Bacterial translation inhibitors, 1-acylindazol-3-ols as anthranilic acid mimics

Preparation of novel anthranilic acids as antibacterial agents. Extensive evaluation of alternative amide bioisosteres connecting the A- and the B-rings

Preparation of novel antibacterial agents. Replacement of the central aromatic ring with heterocycles

MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches

7-Oxo-4,7-dihydrothieno[3,2- b]pyridine-6-carboxamides: Synthesis and biological activity of a new class of highly potent inhibitors of human cytomegalovirus DNA polymerase

Identification of novel potent hydroxamic acid inhibitors of peptidyl deformylase and the importance of the hydroxamic acid functionality on inhibition

Hormone antagonists

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

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors

Principles of recepterology

Discovery of an Oral Potent Selective Inhibitor of Hematopoietic Prostaglandin D Synthase (HPGDS)

Conformation of progesterone side chain: conflict between x-ray data and force-field calculations

Structure-based design of combinatorial libraries

Steroid conformations in solid and solution: stereoselectivity of Grignard addition to 20-oxo steroids

Cardiac glycosides. 4. A structural and biological analysis of .beta.-D-digitoxosides, .beta.-AYD-digitoxose acetonides and their genins

Digitalis Genin Activity: Side-Group Carbonyl Oxygen Position Is a Major Determinant

Synthesis and antibacterial activity of [6,5,5] and [6,6,5] tricyclic fused oxazolidinones

Comparing protein structures: A Gaussian-based approach to the three-dimensional structural similarity of proteins

A molecular field-based similarity approach to pharmacophoric pattern recognition

STEROID AGONISTS AND ANTAGONISTS: MOLECULAR CONFORMATION, RECEPTOR BINDING AND ACTIVITY

STEROID-PROTEIN INTERACTIONS DETERMINED AND INFERRED FROM X-RAY CRYSTALLOGRAPHIC INVESTIGATIONS

Crystal and molecular structure of two C-phenyl pentitol derivatives

Crystal structure, low-temperature crystal spectra and IR spectra of tricesium dichlorotetraaquavanadium(III) chloride and some analogous molecules

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