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Annotated chemical patent corpus: a gold standard for text mining

PloS one, 2014-09, Vol.9 (9), p.e107477-e107477

2014

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Virtual Screening Studies to Design Potent CDK2-Cyclin A Inhibitors

Journal of chemical information and modeling, 2007-07, Vol.47 (4), p.1526-1535

2007

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Tracking 20 years of compound-to-target output from literature and patents

PloS one, 2013, Vol.8 (10), p.e77142-e77142

2013

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Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions

Journal of chemical information and modeling, 2005-05, Vol.45 (3), p.725-738

2005

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Ligand Coordinate Analysis of SC-558 from the Active Site to the Surface of COX-2: A Molecular Dynamics Study

Journal of chemical information and modeling, 2006-07, Vol.46 (4), p.1784-1794

2006

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Searching for a Polymorph: Second Crystal Form of 6-Amino-2-Phenylsulfonylimino-1,2-Dihydropyridine

Angewandte Chemie International Edition, 2003-04, Vol.42 (17), p.1963-1967

2003

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Elicitation of defense response by transglycosylated chitooligosaccharides in rice seedlings

Carbohydrate research, 2021-12, Vol.510, p.108459-108459, Article 108459

2021

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The Supramolecular Synthon Approach to Crystal Structure Prediction

Crystal growth & design, 2002-03, Vol.2 (2), p.93-100

2002

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Selective nitration of aromatic compounds by solid acid catalysts

Chemical communications (Cambridge, England), 2000-01 (1), p.25-26

2000

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Polymorph of trans-dichlorotetrakis(pyridine-N)ruthenium(II) influenced by a dihydrazone: crystal structure, spectral, Hirshfeld surfaces, antimicrobial, toxicity and in silico docking studies

Journal of chemical sciences (Bangalore, India), 2020-12, Vol.132 (1), Article 133

2020

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Ligand-based and structure-based approaches in identifying ideal pharmacophore against c-Jun N-terminal kinase-3

Journal of molecular modeling, 2011, Vol.17 (1), p.151-163

2011

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Three-Dimensional Quantitative Structural Activity Relationship (3D-QSAR) Studies of Some 1,5-Diarylpyrazoles: Analogue Based Design of Selective Cyclooxygenase-2 Inhibitors

Molecules (Basel, Switzerland), 2000-07, Vol.5 (7), p.945-955

2000

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Design of EGFR kinase inhibitors: A ligand-based approach and its confirmation with structure-based studies

Bioorganic & medicinal chemistry, 2003-10, Vol.11 (21), p.4643-4653

2003

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3-D QSAR studies on new dibenzyltin(IV) anticancer agents by comparative molecular field analysis (CoMFA)

Bioorganic & medicinal chemistry letters, 2002-01, Vol.12 (1), p.61-64

2002

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Purification of nickel sulphate solutions containing iron, copper, cobalt, zinc and manganese

Journal of chemical technology and biotechnology (1986), 1994-04, Vol.59 (4), p.335-339

1994

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Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds

Journal of cheminformatics, 2011-05, Vol.3 (1), p.14-14

2011

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Searching the Conformational Space of Cyclic Molecules: A Molecular Mechanics and Density Functional Theory Study of 9-Crown-3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-12, Vol.103 (50), p.10993-10997

1999

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Extractive spectrophotometric determination of cobalt using Cyanex-272

Talanta (Oxford), 1994-08, Vol.41 (8), p.1335-1339

1994

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Analogue based design of MMP-13 (Collagenase-3) inhibitors

Bioorganic & medicinal chemistry letters, 2002-10, Vol.12 (19), p.2689-2693

2002

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New and Improved Synthesis of Telmisartan: An Antihypertensive Drug

Synthetic communications, 2009-11, Vol.39 (23), p.4149-4157

2009

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Role of Intermolecular Hydrogen Bonding in Some Supramolecules: An AM1 Study of the Binding Energies and Hyperpolarizabilities

Chemistry of materials, 1995-10, Vol.7 (10), p.1843-1848

1995

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Synthesis and Conformational Studies of Peptidomimetics Containing Furanoid Sugar Amino Acids and a Sugar Diacid

Journal of organic chemistry, 2000-11, Vol.65 (22), p.7710-7710

2000

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The chloro-methyl exchange rule and its violations in the packing of organic molecular solids

Journal of Chemical Sciences, 1986-04, Vol.96 (6), p.599-605

1986

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Design of an SHG-active crystal, 4-iodo-4′-nitrobiphenyl: the role of supramolecular synthons

Chemical communications (Cambridge, England), 1997 (1), p.101-102

1997

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The novel 1 : 1 donor–acceptor complex, 3,4-dimethoxycinnamic acid–2,4-dinitrocinnamic acid. Crystal engineering, structure, and anomalous lack of solid-state topochemical reactivity

J. Chem. Soc., Perkin Trans. 2, 1985 (12), p.1905-1912

1985

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Annotated chemical patent corpus: a gold standard for text mining

Virtual Screening Studies to Design Potent CDK2-Cyclin A Inhibitors

Tracking 20 years of compound-to-target output from literature and patents

Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions

Ligand Coordinate Analysis of SC-558 from the Active Site to the Surface of COX-2: A Molecular Dynamics Study

Searching for a Polymorph: Second Crystal Form of 6-Amino-2-Phenylsulfonylimino-1,2-Dihydropyridine

Elicitation of defense response by transglycosylated chitooligosaccharides in rice seedlings

The Supramolecular Synthon Approach to Crystal Structure Prediction

Selective nitration of aromatic compounds by solid acid catalysts

Polymorph of trans-dichlorotetrakis(pyridine-N)ruthenium(II) influenced by a dihydrazone: crystal structure, spectral, Hirshfeld surfaces, antimicrobial, toxicity and in silico docking studies

Ligand-based and structure-based approaches in identifying ideal pharmacophore against c-Jun N-terminal kinase-3

Three-Dimensional Quantitative Structural Activity Relationship (3D-QSAR) Studies of Some 1,5-Diarylpyrazoles: Analogue Based Design of Selective Cyclooxygenase-2 Inhibitors

Design of EGFR kinase inhibitors: A ligand-based approach and its confirmation with structure-based studies

3-D QSAR studies on new dibenzyltin(IV) anticancer agents by comparative molecular field analysis (CoMFA)

Purification of nickel sulphate solutions containing iron, copper, cobalt, zinc and manganese

Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds

Searching the Conformational Space of Cyclic Molecules: A Molecular Mechanics and Density Functional Theory Study of 9-Crown-3

Extractive spectrophotometric determination of cobalt using Cyanex-272

Analogue based design of MMP-13 (Collagenase-3) inhibitors

New and Improved Synthesis of Telmisartan: An Antihypertensive Drug

Role of Intermolecular Hydrogen Bonding in Some Supramolecules: An AM1 Study of the Binding Energies and Hyperpolarizabilities

Synthesis and Conformational Studies of Peptidomimetics Containing Furanoid Sugar Amino Acids and a Sugar Diacid

The chloro-methyl exchange rule and its violations in the packing of organic molecular solids

Design of an SHG-active crystal, 4-iodo-4′-nitrobiphenyl: the role of supramolecular synthons

The novel 1 : 1 donor–acceptor complex, 3,4-dimethoxycinnamic acid–2,4-dinitrocinnamic acid. Crystal engineering, structure, and anomalous lack of solid-state topochemical reactivity

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