• DRAGON

  • Referenced in 15 articles [sw00220]
  • scientific supervision of the Milano Chemometrics and QSAR Research Group of prof. Roberto Todeschini, author...
  • GPTIPS

  • Referenced in 7 articles [sw15254]
  • using it to generate an accurate, compact QSAR (quantitative structure activity relationship) model of existing...
  • MARCH-INSIDE

  • Referenced in 4 articles [sw27730]
  • study of Quantitative Structure-Activity Relationships (QSAR) in Medicinal Chemistry. The method uses the theory ... which unifying QSAR models predicting antifungal, antibacterial, or anti-parasite drugs with multiple targets (microbial...
  • CORAL

  • Referenced in 3 articles [sw10927]
  • CORAL: QSAR models for acute toxicity in fathead minnow (Pimephales promelas). CORrelation And Logic (CORAL ... software that generates quantitative structure activity relationships (QSAR) for different endpoints. This study is dedicated ... QSAR analysis of acute toxicity in Fathead minnow (Pimephales promelas). Statistical quality for the external...
  • E-DRAGON

  • Referenced in 5 articles [sw37002]
  • descriptors developed by the Milano Chemometrics and QSAR Research Group of Prof. R. Todeschini. These...
  • NL MIND-BEST

  • Referenced in 2 articles [sw25864]
  • different targets. Quantitative Structure–Activity Relationships (QSAR) models become a very useful tool in this ... time and resources consuming experiments. Unfortunately most QSAR models predict activity against only one protein ... problem, we developed here a multi-target QSAR (mt-QSAR) classifier using the MARCH-INSIDE ... report by first time Quantum QSAR study, synthesis, characterization, and experimental assay of antiplasmodial...
  • SYBYL

  • Referenced in 4 articles [sw14073]
  • Perform lead optimization using a variety of QSAR methods- CoMFA, HQSAR, and Topomer CoMFA...
  • OCHEM

  • Referenced in 3 articles [sw36342]
  • simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems...
  • QSARdata

  • Referenced in 2 articles [sw10638]
  • QSARdata: Quantitative Structure Activity Relationship (QSAR) Data Sets. Molecular descriptors and outcomes for several public...
  • pKalc

  • Referenced in 1 article [sw14074]
  • diversity calculations for combinatorial chemistry, in QSAR, in evaluating the synthesis possibilities, or in characterizing...
  • DrugscorePPI

  • Referenced in 1 article [sw30037]
  • been fine-tuned by an atomtype-based QSAR approach with respect to experimental binding free...
  • Matlab

  • Referenced in 12309 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • STATISTICA

  • Referenced in 37 articles [sw00913]
  • Since 1984, StatSoft has been developing the STATISTICA...
  • COSMOS

  • Referenced in 8 articles [sw04049]
  • COSMOS (COmparing Small MOlecules for Similarity) is a...
  • alr3

  • Referenced in 272 articles [sw04474]
  • alr3: Data to accompany Applied Linear Regression 3rd...
  • LIBSVM

  • Referenced in 1101 articles [sw04879]
  • LIBSVM is a library for Support Vector Machines...
  • GAUSSIAN

  • Referenced in 181 articles [sw06118]
  • Gaussian is an electronic structure program, used by...
  • SATzilla

  • Referenced in 86 articles [sw06281]
  • SATzilla: portfolio-based algorithm selection for SAT. It...
  • AFGen

  • Referenced in 15 articles [sw06325]
  • AFGen is a program that takes as input...