Applications of Artificial Intelligence: Relationships between Mass Spectra and Pharmacological Activity of Drugs

No abstract is available for this paper.

• Publication year

  1973

• Venue

  Science

• Publication date

  1973-04-27

• Fields of study

  Medicine, Chemistry, Computer Science

• Identifiers
  DOI 10.1126/science.180.4084.417PMID 4700601
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Pattern recognition. Powerful approach to interpreting chemical data

  1972cited by this paper
• K-Nearest Neighbor Classification Rule (pattern recognition) applied to nuclear magnetic resonance spectral interpretation

  1972cited by this paper
• THE USE OF MULTIPLE MEASUREMENTS IN TAXONOMIC PROBLEMS

  1936cited by this paper

• Visual analysis of drug research and development based on artificial intelligence

  2024cites this paper
• Artificial Intelligence with Great Potential in Medical Informatics: A Brief Review

  2024cites this paper
• Use of artificial intelligence in pharmacovigilance for social media network

  2021cites this paper
• Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery.

  2019cites this paper
• Chemical data, ways and means, past and future

  2015cites this paper
• TREATMENT OF MULTIVARIATE ENVIRONMENTAL AND HEALTH PROBLEMS ASSOCIATED WITH OIL SHALE TECHNOLOGY

  2010cites this paper
• Quantitative structure—activity relationships of psychotropic agents

  2009cites this paper
• Bad results from good data

  2006cites this paper
• Solving chemical problems with pattern recognition

  2004cites this paper
• The feasibility of latent variables applied to GC-MS data

  1995cites this paper
• Regression analysis for QSAR using neural networks

  1992cites this paper
• Chemometrics in mass spectrometry

  1992cites this paper
• Computergestütztes Moleküldesign (CAMD) – ein Überblick

  1987cites this paper
• Alternate Methods for Integrated Evaluation of Toxicity and Risk Assessment

  1984cites this paper
• Quantitative drug design studies. V. Approach to lead generation by pharmacophoric pattern searching.

  1982cites this paper
• Classification of monosubstituted phenyl rings by parametric methods applied to infrared and raman peak heights

  1982cites this paper
• The use of mass spectrometric data to predict biological activity.

  1981cites this paper
• An assessment of the carcinogenicity of N-nitroso compounds by the SIMCA method of pattern recognition

  1981cites this paper
• vkappa. Nearest neighbor rule in weighting measurements for pattern recognition

  1980cites this paper
• Method for selecting topological and topographical descriptors of the biological activity of chemical compounds

  1980cites this paper
• Classification and psychotropic drugs.

  1980cites this paper
• Psychotropic drugs and taxonomic systems

  1980cites this paper
• Logico-Structural Approach to Computer-Assisted Drug Design

  1980cites this paper
• Consequences of the Hansch Paradigm for the Pharmaceutical Industry

  1980cites this paper
• Relationships between chemical structure and biological activity modeled by SIMCA pattern recognition

  1980cites this paper
• Quantitative structure-activity relationships.

  1979cites this paper
• The Application of Pattern Recognition to Drug Design

  1979cites this paper
• Computer-aided interpretation of steroid mass spectra by pattern recognition methods: Part III. Computation of Binary Classifiers by Linear Regression

  1978cites this paper
• A structure-carcinogenicity study of 4-nitroquinoline 1-oxides using the SIMCA method of pattern recognition.

  1978cites this paper
• Structure-activity studies of barbiturates using pattern recognition techniques.

  1978cites this paper
• Structure-activity study of beta-adrenergic agents using the SIMCA method of pattern recognition.

  1978cites this paper
• Pattern recognition II: Investigation of structure--activity relationships.

  1977cites this paper
• Three-Dimensional Pharmacophoric Pattern Searching

  1977cites this paper
• Temporal Patterns of the Use of Non-Prescribed Drugs

  1977cites this paper
• Computer-aided interpretation of steroid mass spectra by pattern recognition methods

  1977cites this paper
• Photoelectron spectra of psychotropic drugs. 2. Phenothiazine and related tranquilizers.

  1977cites this paper
• Chapter 31: Quantitative Drug Design

  1976cites this paper
• 2 – Computerized Structure Retrieval and Interpretation of Mass Spectra

  1976cites this paper
• Chapter 5 – Computer Technology in Drug Design

  1976cites this paper
• Applications of computerized pattern recognition: a survey of correlations between pharmacological activities and mass spectra.

  1976cites this paper
• Measurement analysis by pattern recognition

  1975cites this paper
• Pattern recognitiion and structure-activity relationship studies. Computer-assisted prediction of antitumor activity in structurally diverse drugs in an experimental mouse brain tumor system.

  1975cites this paper
• A program for generating empirical spectrum classification schemes

  1975cites this paper
• The relationship between the mass spectra of drugs and their biological activity--an application of artificial intelligence to chemistry.

  1975cites this paper
• Classification of psychotropic drugs as sedatives or tranquilizersusing pattern recongition techniques.

  1975cites this paper
• Determination of the volatility of metal chelates by atomic absorption

  1975cites this paper
• Programs for spectrum classification and screening of gas chromotographic-mass spectrometric data on a laboratory computer

  1975cites this paper
• Pattern recognition techniques applied to the interpretation of infrared spectra

  1974cites this paper
• Marihuana—A Psychedelic Drug?

  1974cites this paper
• Simplex optimization of analytical chemical methods

  1974cites this paper
• Computer utility for the analytical laboratory

  1974cites this paper
• Testing of computer-assisted methods for classification of pharmacological activity.

  1974cites this paper
• Response : Testing of Computer-Assisted Methods for Classification of Pharmacological Activity

  1974cites this paper
• Applications of artificial intelligence to chemistry. Use of pattern recognition and cluster analysis to determine the pharmacological activity of some organic compounds.

  1974cites this paper