Search Results - "Simmons, Kirk"

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    A Simple Structure-Based Calculator for Estimating Vapor Pressure by Simmons, Kirk A

    Published in Journal of agricultural and food chemistry (01-04-1999)
    “…The development of an estimator for vapor pressure based upon organic functional groups is described. This vapor pressure calculator permits prediction of…”
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    Journal Article
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    Comparative Study of Machine-Learning and Chemometric Tools for Analysis of In-Vivo High-Throughput Screening Data by Simmons, Kirk, Kinney, John, Owens, Aaron, Kleier, Dan, Bloch, Karen, Argentar, Dave, Walsh, Alicia, Vaidyanathan, Ganesh

    “…High-throughput screening (HTS) has become a central tool of many pharmaceutical and crop-protection discovery operations. If HTS screening is carried out at…”
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    Journal Article
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    Practical Outcomes of Applying Ensemble Machine Learning Classifiers to High-Throughput Screening (HTS) Data Analysis and Screening by Simmons, Kirk, Kinney, John, Owens, Aaron, Kleier, Daniel A, Bloch, Karen, Argentar, Dave, Walsh, Alicia, Vaidyanathan, Ganesh

    “…Over the years numerous papers have presented the effectiveness of various machine learning methods in analyzing drug discovery biological screening data. The…”
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    Journal Article
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    Predicting the activity of soil-applied insecticides from their physicochemical properties by Simmons, Kirk A, Lew, Albert C, Silverman, I. Robert, Ali, Syed F

    Published in Journal of agricultural and food chemistry (01-08-1992)
    “…The influence of physicochemical properties on the activity of soil-applied insecticides is discussed. Physical property-based rules are developed which allow…”
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    Journal Article
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    Synthesis and activity optimization of herbicidal substituted 4-aryl-1,2,4-triazole-5(1H)-thiones by Simmons, Kirk A, Dixson, John A, Halling, Blaik P, Plummer, Ernest L, Plummer, Marjorie J, Tymonko, John M, Schmidt, Robert J, Wyle, Mike J, Webster, Charles A, et al, .

    Published in Journal of agricultural and food chemistry (01-02-1992)
    “…The process of sorting leads identified via screening can be made more efficient by the application of experimental design strategies. Such strategies were…”
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    Journal Article
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    Synthesis and biological evaluation of destruxin A and related analogs by Ast, T., Schmidt, M., Germeroth, L., Wenschuh, H., Barron, E., Kinne, L., Simmons, K.

    Published in The journal of peptide research (01-07-2001)
    “…: This report describes the development of an efficient solid‐phase synthesis protocol and adaptation of reported solution phase procedures for the synthesis…”
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    Journal Article
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    SYNTHESIS AND NUCLEAR MAGNETIC RESONANCE STUDIES OF SELECTED DIASTEREOMERIC COMPOUNDS by SIMMONS, KIRK ALLEN

    Published 01-01-1980
    “…The coordination site of tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dionato)ytterbium (III) has been determined in oxaziridines. Comparison of the…”
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    Dissertation