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V. J. Drago, J. G. Kaufman: Technical features of the Chemical and Materials Property Data Network services on STN International.
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Andreas Barth: SpecInfo: An integrated spectroscopic information system.
52-58
J. T. Staley: Personal computer programs to generate reference diffraction patterns.
59-69
Tadeusz Marek Krygowski: Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systems.
70-78
Brian T. Luke: Displaying the structure of molecules by multidimensional plots of their torsion angles.
135-142
Lemont B. Kier, Lowell H. Hall, Jack W. Frazer: Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts.
143-147
Lowell H. Hall, Lemont B. Kier, Jack W. Frazer: Design of molecules from quantitative structure-activity relationship models. 2. Derivation and proof of information transfer relating equations.
148-152
Mario Marsili, Heinz Saller: ANALOGS: a computer program for the design of multivariate sets of analog compounds.
266-269
Amiram Goldblum, Anwar Rayan, Amit Fliess, Meir Glick: Extending crystallographic information with semiempirical quantum mechanics and molecular mechanics: A case of aspartic proteinases.
270-274
Rupika Delgoda, James Douglas Pulfer: Application of pattern recognition techniques to mass spectrometric data for sequencing C-terminal peptide residue series.
332-337
John D. Holliday, Geoffrey M. Downs, Valerie J. Gillet, Michael F. Lynch: Computer storage and retrieval of generic chemical structures in patents. 15. Generation of topological fragment descriptors from nontopological representations of generic structure components.
369-377
P. Thangavel, Ponnambalam Venuvanalingam: Algorithms for the computation of molecular distance matrix and distance polynomial of chemical graphs on parallel computers.
412-414
Roger Attias: Generative graphs and representation by induction of orders: the RIO general model of EURECAS.
415-420
Lingran Chen, Wolfgang Robien: Sophisticated algorithm for automatic extraction and analysis of substituent-induced chemical shift differences on carbon-13 NMR spectra.
441-446
Lingran Chen, Wolfgang Robien: Inherent limitations of linear additivity models for the estimation of carbon-13 NMR chemical shift values of polysubstituted benzenes: some new findings using the SCSD algorithm.
447-452
Mark D. Jackson: Modeling of numerical atomic electron density data with analytical functions.
453-457
Jun Xu, Bryan C. Sanctuary, B. N. Gray: Automated extraction of spin coupling topologies from 2D NMR correlation spectra for protein proton resonance assignment.
475-489
Jun Xu, Bryan C. Sanctuary: CPA: Constrained partitioning algorithm for initial assignment of protein proton resonances from MQF-COSY.
490-500
T. Zhou, Thomas L. Isenhour, John C. Marshall: Object-oriented programming applied to laboratory automation. 2. The object-oriented Chemical Information Manager for the Analytical Director.
569-576
Geoffrey M. J. West: Predicting phosphorus NMR shifts using neural networks.
577-589
Yuyuan Yao, Lu Xu, Yiqiu Yang, Xiushun Yuan: Study on structure-activity relationships of organic compounds: Three new topological indexes and their applications.
590-594
H. Kavak, R. Esen: Spectrum comparison of IR data taken from different spectrometers with various precision.
595-597
Lowell H. Hall, Robert S. Dailey, Lemont B. Kier: Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3.
598-603
Cheng Wentang, Zhang Ying, Yu Feibai: New computer representation for chemical structures: Two-level compact connectivity tables.
604-608
Roger Attias, Michel Petitjean: Statistical analysis of atom topological neighborhoods and multivariate representations of a large chemical file.
649-656
Theodore I. Bieber, Mark D. Jackson: Applications of degree distribution. 1. (a) General discussion and computer generation of degree distributions. (b) Maximal degree distributions.
696-700
Mark D. Jackson, Theodore I. Bieber: Applications of degree distribution. 2. Construction and enumeration of isomers in the alkane series.
701-708
Hans Lohninger: Evaluation of neural networks based on radial basis functions and their application to the prediction of boiling points from structural parameters.
736-744
Bruce L. Bush, Robert P. Sheridan: PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases.
756-762
Elke Lang, Jürgen Brickmann: Storage techniques and analysis tools founding a knowledge-based system for conformation prediction.
763-768
Carlos Adriel Del Carpio, Yoshimasa Takahashi, Shin-ichi Sasaki: Automatic identification and manipulation of receptor sites in proteins. 2. Electrostatic complementarity analysis for the evaluation and selection of candidate ligand receptor sites.
769-775
Wolfgang Linert, Franz Renz: Modeling crystal structures by numerical methods: a tool for practical structure analysis.
776-781
Paul A. Edwards: CHEMiCALC. The Chemistry Companion.
782-783
Hajime Tokuno: Comparison of Markush structure databases.
799-804
Robert Ponec: Similarity approach to chemical reactivity. A simple criterion for discriminating between one-step and stepwise reaction mechanisms in pericyclic reactivity.
805-811
Alan R. Katritzky, Ekaterina Gordeeva: Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research.
835-857
Axel Drefahl, Martin Reinhard: Similarity-based search and evaluation of environmentally relevant properties for organic compounds in combination with the group contribution approach.
886-895
Ingvar C. Lagerstedt, Thomas Olsson: A steric model for the prediction of stereoselectivity at carbonyl carbons in cyclic compounds.
896-904
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