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Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

Journal of chemical information and modeling, 2020-03, Vol.60 (3), p.1253-1275

2020

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SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

Scientific data, 2020-11, Vol.7 (1), p.384, Article 384

2020

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Adapting CHMTRN (CHeMistry TRaNslator) for a New Use

Journal of chemical information and modeling, 2020-07, Vol.60 (7), p.3336-3341

2020

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Computer-Assisted Planning of Organic Syntheses: The Second Generation of Programs

Angewandte Chemie (International ed.), 1996-01, Vol.34 (23-24), p.2613-2633

1996

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Tautomerism in large databases

Journal of computer-aided molecular design, 2010-06, Vol.24 (6-7), p.521-551

2010

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PDB Ligand Conformational Energies Calculated Quantum-Mechanically

Journal of chemical information and modeling, 2012-03, Vol.52 (3), p.739-756

2012

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InfVis − Platform-Independent Visual Data Mining of Multidimensional Chemical Data Sets

Journal of chemical information and modeling, 2005-09, Vol.45 (5), p.1456-1467

2005

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Enhanced CACTVS Browser of the Open NCI Database

Journal of Chemical Information and Computer Sciences, 2002-01, Vol.42 (1), p.46-57

2002

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PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser

Journal of Chemical Information and Computer Sciences, 2003-01, Vol.43 (1), p.228-236

2003

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Reaction SPL – extension of a public document markup standard to chemical reactions

Pure and applied chemistry, 2022-06, Vol.94 (6), p.657-675

2022

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Computergestützte Planung organisch-chemischer Synthesen: die zweite Programmgeneration

Angewandte Chemie, 1995-12, Vol.107 (23-24), p.2807-2829

1995

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Computer-assisted Design of Syntheses for Heterocyclic Compounds

Heterocycles, 1995-03, Vol.40 (2), p.993

1995

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Digital Watermarking of Chemical Structure Sets

Information Hiding, 2001, Vol.2137, p.200-214

2001

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Hash codes for the identification and classification of molecular structure elements

Journal of computational chemistry, 1994-08, Vol.15 (8), p.793-813

1994

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An efficient approach toward a flexible and general knowledge definition and program control language system for a synthesis-planning program

Journal of chemical information and computer sciences, 1994-07, Vol.34 (4), p.872-880

Ihlenfeldt, Wolf-Dietrich

1994

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Augmenting Connectivity Information by Compound Name Parsing: Automatic Assignment of Stereochemistry and Isotope Labeling

Journal of chemical information and computer sciences, 1995-07, Vol.35 (4), p.663-674

1995

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Similarity concepts for the planning of organic reactions and syntheses

Journal of chemical information and computer sciences, 1992-11, Vol.32 (6), p.700-712

1992

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Computergestützte Planung organisch‐chemischer Synthesen: die zweite Programmgeneration

Angewandte Chemie, 1995, Vol.107 (23‐24), p.2807-2829

1995

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Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility

Journal of chemical information and computer sciences, 1994-01, Vol.34 (1), p.109-116

1994

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Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

Adapting CHMTRN (CHeMistry TRaNslator) for a New Use

Computer-Assisted Planning of Organic Syntheses: The Second Generation of Programs

Tautomerism in large databases

PDB Ligand Conformational Energies Calculated Quantum-Mechanically

InfVis − Platform-Independent Visual Data Mining of Multidimensional Chemical Data Sets

Enhanced CACTVS Browser of the Open NCI Database

PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser

Reaction SPL – extension of a public document markup standard to chemical reactions

Computergestützte Planung organisch-chemischer Synthesen: die zweite Programmgeneration

Computer-assisted Design of Syntheses for Heterocyclic Compounds

Digital Watermarking of Chemical Structure Sets

Hash codes for the identification and classification of molecular structure elements

An efficient approach toward a flexible and general knowledge definition and program control language system for a synthesis-planning program

Augmenting Connectivity Information by Compound Name Parsing: Automatic Assignment of Stereochemistry and Isotope Labeling

Similarity concepts for the planning of organic reactions and syntheses

Computergestützte Planung organisch‐chemischer Synthesen: die zweite Programmgeneration

Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility

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