I found the field of Chemistry very interesting. Saw the article Machine learning-based prediction of toxicity of organic compounds towards fathead minnow published in 2020. COA of Formula: C7H8O2, Reprint Addresses Chen, XM; Huang, XW; Yu, XL (corresponding author), Hunan Inst Engn, Coll Mat & Chem Engn, Hunan Prov Key Lab Environm Catalysis & Waste Reg, Xiangtan 411104, Hunan, Peoples R China.; Yu, XL (corresponding author), Donghu Rd 18, Xiangtan 411104, Hunan, Peoples R China.. The CAS is 150-19-6. Through research, I have a further understanding and discovery of m-Methoxyphenol
Predicting the acute toxicity of a large dataset of diverse chemicals against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an approximate ratio of 1 : 1. Only six molecular descriptors were used to establish the quantitative structure-activity/toxicity relationship (QSAR/QSTR) model for 96 hourpLC(50)through a support vector machine (SVM) along with genetic algorithm. The optimal SVM model (R-2= 0.756) was verified using both internal (leave-one-out cross-validation) and external validations. The validation results (q(int)(2)= 0.699 andq(ext)(2)= 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six molecular descriptors and a large data set for the test set consisting of 481 compounds.
About m-Methoxyphenol, If you have any questions, you can contact Chen, XM; Dang, LM; Yang, H; Huang, XW; Yu, XL or concate me.. COA of Formula: C7H8O2
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles