Notes tagged with "chemistry": Nonlinear Function

25 notes tagged with "chemistry"

Convolutional Networks on Graphs for Learning Molecular Fingerprints

paper 2015 Existing systems for extracting features ('fingerprints') from molecules look a lot like convnets. They repeatedly apply a hash…

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London dispersion force

References: Wikipedia: https://en.wikipedia.org/wiki/London_dispersion_force Khan academy: https://www.khanacademy.org/science/ap…

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NADH

Nicotinamide adenine dinucluotide hydride. Consists of two [ nucleotide ]s---one with an adenine nucleobase, the other with nicotinamide…

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Neural message passing for Quantum Chemistry

Gilmer at al. paper 2017 Experiments on QM9. Unlike SMILES strings, includes molecular geometry . General formulation of message passing…

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acetyl

An acetyl group is - (C = O) - CH3 Attaching an OH gives acetic acid.

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alcohol substitute

[ ethanol|Ethyl alcohol ] is by far the most harmful drug that most people regularly consume. It is almost certainly way more harmful than…

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amino acid

Structure: NH2 - C - COOH (amine - C - acid/carboxyl), usually with a side chain hanging from the central (alpha) carbon. Roughly speaking…

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asian glow

References: https://en.wikipedia.org/wiki/Alcohol_flush_reaction There seem to be three genes associated with poor alcohol tolerance…

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carbonyl

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electronegative

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ethanol

Probably the simplest and smallest molecule used as a psychoactive drug: It is neurotoxic, carcinogenic, and addictive, but of course…

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free base

Some drugs, like cocaine, or DMT, come in multiple forms: as some sort of [ salt ] or as a 'free base'. What's the difference between these…

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indole

Indole alkaloid - Wikipedia Indole - Wikipedia A benzene ring fused with a [ pyrrole ring ]

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intermolecular force

References: https://en.wikipedia.org/wiki/Intermolecular_force and linked pages conversations with GPT-4 A molecule is a set of atoms…

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ionic bond

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lone pair

A atomic orbital with two electrons both attached to the same atom. In contrast to a bond, where each atom contributes one electron. Lone…

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nucleotide

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nucleophile

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oxidation

mnemonic: OIL RIG = 'oxidation is losing (electrons), reduction is gaining (electrons)' in contrast to [ acid-base chemistry ], which is…

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phenethylamine

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phosphate

Why Nature Chose Phosphates (science.org)

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pyrrole ring

A five-sided carbon ring with one nitrogen: C4H4NH.

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salt

In chemistry, a salt is a neutral-ish (not too acidic nor basic) compound held together by an [ ionic bond ]. Salts can be formed by [ acid…

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substituted tryptamines

Substituted tryptamines - PsychonautWiki Tryptamine consists of an [ indole ] moeity plus a two-carbon (ethyl) chain with an amine group. We…

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sugar

A sugar is any molecule with the empirical formula C(N)H(2N)O(N). These are like alkanes, which are C(N)H(2N + 2), except that each carbon…

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