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A hormone-sensitive breast cancer is estrogen receptor–positive (ER+), progesterone
For example, writing a simple C means that it’s actually a CH 4 (Methane)
SMILES string: CCC(c1ccccc1)=C(/c2ccccc2)c3ccc(OCCN(C)C)cc3: solubility: methanol: soluble, ethanol: soluble, H 2 O: insoluble ﹤0
Synonym (s): Tamoxifen citrate salt, (Z)-1- (p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene
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Chronic drug-induced liver injury (DILI), defined as DILI with persistent liver injury more than one year after the first onset by the latest European guidelines, is a notable challenge globally with big issues of defining causality and establishing effective treatment
Tamoxifen is indicated for the treatment of breast cancer in a variety of settings
Tamoxifen is a prodrug that is metabolized to active metabolites 4-hydroxytamoxifen (4-OHT) and endoxifen by cytochrome P450 isoforms CYP2D6 and CYP3A4
Note: For the treatment of breast cancer, patients receiving both tamoxifen and chemotherapy should receive treatment sequentially, with tamoxifen following completion of chemotherapy
SMILES uses an atom-centered chirality specification, in which the atom’s left-to-right order in the SMILES string itself is used as the basis for the chirality marking
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Specifically, a model was trained with randomized SMILES that was able to generate almost all molecules from GDB-13
The general syntax for babel will be: babel -ismi Jaw Pain
A SMILES TM string is human understandable, very compact, and if canonicalized represents a unique string that can be used as a universal identifier for a specific chemical structure
Tamoxifen
Indometacin is a member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively