scholarly article | Q13442814 |
P8978 | DBLP publication ID | journals/jcisd/HorvathMVKLB16 |
P356 | DOI | 10.1021/ACS.JCIM.6B00359 |
P698 | PubMed publication ID | 27564682 |
P50 | author | Jürgen Bajorath | Q18609784 |
Dragos Horvath | Q39560704 | ||
Antonio de la Vega de León | Q53345413 | ||
Gilles Marcou | Q56800381 | ||
P2093 | author name string | Alexandre Varnek | |
Shilva Kayastha | |||
P2860 | cites work | SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules | Q28090714 |
Existing and Developing Approaches for QSAR Analysis of Mixtures. | Q38914231 | ||
QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids | Q39540069 | ||
P433 | issue | 9 | |
P921 | main subject | support vector machine | Q282453 |
P304 | page(s) | 1631-1640 | |
P577 | publication date | 2016-08-26 | |
P1433 | published in | Journal of Chemical Information and Modeling | Q3007982 |
P1476 | title | Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression | |
P478 | volume | 56 |
Q57534282 | Automated support vector regression |
Q90139000 | Evolving Concept of Activity Cliffs |
Q39032777 | Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations |
Q90418732 | Prediction Model with High-Performance Constitutive Androstane Receptor (CAR) Using DeepSnap-Deep Learning Approach from the Tox21 10K Compound Library |
Q38689897 | Representation and identification of activity cliffs |
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