CREATE LOGIN bingo WITH PASSWORD = 'StrongPasswordHere123!';
GO
CREATE DATABASE BingoDb;
GO
USE BingoDb;
GO
CREATE USER bingodba FOR LOGIN bingo;
ALTER AUTHORIZATION ON DATABASE::BingoDb TO bingo;- download from https://lifescience.opensource.epam.com/download/bingo/bingo-1.35.0.html (Microsoft SQL Server, WIndows 64bit)
- unzip to
C:\bingo(not into the user profile!)
run
bingo-sqlserver-install.bat -server . -database BingoDb -dbaname bingo -dbapass StrongPasswordHere123! -bingoname bng -bingopass B!ngoB0ngoCREATE TABLE Molecules (
Id INT IDENTITY PRIMARY KEY,
Name NVARCHAR(100),
Mol NVARCHAR(MAX)
);
GO
INSERT INTO Molecules (Name, Mol)
VALUES
('Aspirin', 'CC(=O)OC1=CC=CC=C1C(=O)O'),
('Caffeine', 'CN1C=NC2=C1C(=O)N(C(=O)N2C)C'),
('Benzene', 'C1=CC=CC=C1'),
('Toluene', 'CC1=CC=CC=C1');
EXEC bng.CreateMoleculeIndex 'Molecules', 'Id', 'Mol';SELECT * FROM Molecules WHERE bng.Exact(Mol, 'C1=CC=CC=C1', '') = 1
SELECT * FROM Molecules WHERE bng.Sub(Mol, 'CC', '') = 1;